Scopoletin

7-hydroxy-6-methoxy-2H-chromen-2-one

C10H8O4 (192.0423)


Scopoletin is a hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. It has a role as a plant growth regulator and a plant metabolite. It is functionally related to an umbelliferone. Scopoletin is a natural product found in Ficus auriculata, Haplophyllum cappadocicum, and other organisms with data available. Scopoletin is a coumarin compound found in several plants including those in the genus Scopolia and the genus Brunfelsia, as well as chicory (Cichorium), redstem wormwood (Artemisia scoparia), stinging nettle (Urtica dioica), passion flower (Passiflora), noni (Morinda citrifolia fruit) and European black nightshade (Solanum nigrum) that is comprised of umbelliferone with a methoxy group substituent at position 6. Scopoletin is used to standardize and establish pharmacokinetic properties for products derived from the plants that produce it, such as noni extract. Although the mechanism(s) of action have not yet been established, this agent has potential antineoplastic, antidopaminergic, antioxidant, anti-inflammatory and anticholinesterase effects. Plant growth factor derived from the root of Scopolia carniolica or Scopolia japonica. See also: Arnica montana Flower (part of); Lycium barbarum fruit (part of); Viburnum opulus root (part of). Isolated from Angelica acutiloba (Dong Dang Gui). Scopoletin is found in many foods, some of which are lambsquarters, lemon, sunflower, and sherry. Scopoletin is found in anise. Scopoletin is isolated from Angelica acutiloba (Dong Dang Gui A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA72_Scopoletin_pos_20eV.txt [Raw Data] CBA72_Scopoletin_pos_40eV.txt [Raw Data] CBA72_Scopoletin_neg_30eV.txt [Raw Data] CBA72_Scopoletin_neg_50eV.txt [Raw Data] CBA72_Scopoletin_pos_50eV.txt [Raw Data] CBA72_Scopoletin_pos_10eV.txt [Raw Data] CBA72_Scopoletin_neg_40eV.txt [Raw Data] CBA72_Scopoletin_neg_10eV.txt [Raw Data] CBA72_Scopoletin_pos_30eV.txt [Raw Data] CBA72_Scopoletin_neg_20eV.txt Scopoletin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=92-61-5 (retrieved 2024-07-12) (CAS RN: 92-61-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).

   

4-Hydroxybenzaldehyde

4-hydroxybenzaldehyde

C7H6O2 (122.0368)


4-Hydroxybenzaldehyde, also known as 4-formylphenol or 4-hydroxybenzenecarbonal, belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. 4-Hydroxybenzaldehyde exists in all living organisms, ranging from bacteria to humans. 4-Hydroxybenzaldehyde is a sweet, almond, and balsam tasting compound. 4-Hydroxybenzaldehyde is found, on average, in the highest concentration within vinegars and oats. 4-Hydroxybenzaldehyde has also been detected, but not quantified, in several different foods, such as cardoons, colorado pinyons, oyster mushrooms, common chokecherries, and potato. This could make 4-hydroxybenzaldehyde a potential biomarker for the consumption of these foods. 4-hydroxybenzaldehyde is a hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. It has a role as a plant metabolite, a mouse metabolite and an EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor. 4-Hydroxybenzaldehyde is a natural product found in Ficus septica, Visnea mocanera, and other organisms with data available. Occurs naturally combined in many glycosides. Constituent of vanillin. Isol. in free state from opium poppy (Papaver somniferum) A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. 4-Hydroxybenzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=123-08-0 (retrieved 2024-07-02) (CAS RN: 123-08-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

   

Emodin

1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione;3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE

C15H10O5 (270.0528)


Emodin appears as orange needles or powder. (NTP, 1992) Emodin is a trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. It has a role as a tyrosine kinase inhibitor, an antineoplastic agent, a laxative and a plant metabolite. It is functionally related to an emodin anthrone. It is a conjugate acid of an emodin(1-). Emodin has been investigated for the treatment of Polycystic Kidney. Emodin is a natural product found in Rumex dentatus, Rhamnus davurica, and other organisms with data available. Emodin is found in dock. Emodin is present in Cascara sagrada.Emodin is a purgative resin from rhubarb, Polygonum cuspidatum, the buckthorn and Japanese Knotweed (Fallopia japonica). The term may also refer to any one of a series of principles isomeric with the emodin of rhubarb. (Wikipedia) Emodin has been shown to exhibit anti-inflammatory, signalling, antibiotic, muscle building and anti-angiogenic functions (A3049, A7853, A7854, A7855, A7857). Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies. See also: Reynoutria multiflora root (part of); Frangula purshiana Bark (part of). A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. Emodin is found in dock. Emodin is present in Cascara sagrada.Emodin is a purgative resin from rhubarb, Polygonum cuspidatum, the buckthorn and Japanese Knotweed (Fallopia japonica). The term may also refer to any one of a series of principles isomeric with the emodin of rhubarb. (Wikipedia C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D005765 - Gastrointestinal Agents > D002400 - Cathartics Present in Cascara sagrada CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8540; ORIGINAL_PRECURSOR_SCAN_NO 8539 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8561; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5082; ORIGINAL_PRECURSOR_SCAN_NO 5079 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8572; ORIGINAL_PRECURSOR_SCAN_NO 8570 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5104; ORIGINAL_PRECURSOR_SCAN_NO 5099 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8558; ORIGINAL_PRECURSOR_SCAN_NO 8556 ORIGINAL_PRECURSOR_SCAN_NO 5094; CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5097 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8554; ORIGINAL_PRECURSOR_SCAN_NO 8550 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5096; ORIGINAL_PRECURSOR_SCAN_NO 5093 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8556; ORIGINAL_PRECURSOR_SCAN_NO 8554 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5090; ORIGINAL_PRECURSOR_SCAN_NO 5089 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5085; ORIGINAL_PRECURSOR_SCAN_NO 5082 CONFIDENCE standard compound; INTERNAL_ID 999; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5097; ORIGINAL_PRECURSOR_SCAN_NO 5094 [Raw Data] CB029_Emodin_pos_50eV_CB000015.txt [Raw Data] CB029_Emodin_pos_10eV_CB000015.txt [Raw Data] CB029_Emodin_pos_20eV_CB000015.txt [Raw Data] CB029_Emodin_pos_30eV_CB000015.txt [Raw Data] CB029_Emodin_pos_40eV_CB000015.txt [Raw Data] CB029_Emodin_neg_50eV_000008.txt [Raw Data] CB029_Emodin_neg_20eV_000008.txt [Raw Data] CB029_Emodin_neg_40eV_000008.txt [Raw Data] CB029_Emodin_neg_30eV_000008.txt [Raw Data] CB029_Emodin_neg_10eV_000008.txt CONFIDENCE standard compound; ML_ID 38 Emodin (Frangula emodin), an anthraquinone derivative, is an anti-SARS-CoV compound. Emodin blocks the SARS coronavirus spike protein and angiotensin-converting enzyme 2 (ACE2) interaction[1]. Emodin inhibits casein kinase-2 (CK2). Anti-inflammatory and anticancer effects[2]. Emodin is a potent selective 11β-HSD1 inhibitor with the IC50 of 186 and 86 nM for human and mouse 11β-HSD1, respectively. Emodin ameliorates metabolic disorder in diet-induced obese mice[3]. Emodin (Frangula emodin), an anthraquinone derivative, is an anti-SARS-CoV compound. Emodin blocks the SARS coronavirus spike protein and angiotensin-converting enzyme 2 (ACE2) interaction[1]. Emodin inhibits casein kinase-2 (CK2). Anti-inflammatory and anticancer effects[2]. Emodin is a potent selective 11β-HSD1 inhibitor with the IC50 of 186 and 86 nM for human and mouse 11β-HSD1, respectively. Emodin ameliorates metabolic disorder in diet-induced obese mice[3].

   

Chrysophanol

1,8-DIHYDROXY-3-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE

C15H10O4 (254.0579)


Chrysophanic acid appears as golden yellow plates or brown powder. Melting point 196 °C. Slightly soluble in water. Pale yellow aqueous solutions turn red on addition of alkali. Solutions in concentrated sulfuric acid are red. (NTP, 1992) Chrysophanol is a trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity. It has a role as an antiviral agent, an anti-inflammatory agent and a plant metabolite. It is functionally related to a chrysazin. Chrysophanol is a natural product found in Rumex dentatus, Ageratina altissima, and other organisms with data available. See also: Frangula purshiana Bark (part of). A trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity. Constituent of Rumex, Rheum subspecies Chrysophanol is found in dock, garden rhubarb, and sorrel. Chrysophanol is found in dock. Chrysophanol is a constituent of Rumex, Rheum species D009676 - Noxae > D009153 - Mutagens Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K. Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K.

   

Rishitin

1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol

C14H22O2 (222.162)


Constituent of the tubers of white potatoes (Solanum subspecies) infected by Phytophthora infestans. Rishitin is found in many foods, some of which are pepper (c. annuum), yellow bell pepper, red bell pepper, and garden tomato (variety). Rishitin is found in alcoholic beverages. Rishitin is a constituent of the tubers of white potatoes (Solanum species) infected by Phytophthora infestans

   

Solavetivone

6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-en-8-one

C15H22O (218.1671)


Solavetivone is found in alcoholic beverages. Solavetivone is a stress metabolite from potato tubers (Solanum tuberosum Stress metabolite from potato tubers (Solanum tuberosum). Solavetivone is found in alcoholic beverages and potato.

   

Cytochalasin A

Cytochalasin A

C29H35NO5 (477.2515)


D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

   

Cytochalasin B

2H-Oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-

C29H37NO5 (479.2672)


An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Cytochalasin B is a cell-permeable mycotoxin binding to the barbed end of actin filaments, disrupting the formation of actin polymers, with Kd value of 1.4-2.2 nM for F-actin. Cytochalasin B blocks cell migration.

   

(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside

2-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

C21H34O8 (414.2254)


(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is found in potato. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is isolated from potatoes infected with Phoma exigu Isolated from potatoes infected with Phoma exigua. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is found in potato.

   

3,11,12-Trihydroxy-1(10)-spirovetiven-2-one

2-(1,2-dihydroxypropan-2-yl)-9-hydroxy-6,10-dimethylspiro[4.5]dec-6-en-8-one

C15H24O4 (268.1675)


3,11,12-Trihydroxy-1(10)-spirovetiven-2-one is found in alcoholic beverages. 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one is a constituent of potato tubers infected with Phoma exigua. Constituent of potato tubers infected with Phoma exigua. 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one is found in alcoholic beverages and potato.

   

Phomarin

1,6-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione

C15H10O4 (254.0579)


Phomarin is found in herbs and spices. Phomarin is from roots of Ruta graveolens (rue

   

(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one

2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

C15H24O3 (252.1725)


(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is found in potato. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is a constituent of potatoes infected with Phoma exigua.

   

Eleutheroside B1

6,8-dimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one

C17H20O10 (384.1056)


Calycanthoside is found in herbs and spices. Calycanthoside is a constituent of Calycanthus occidentalis (Californian allspice) From Siberian ginseng (Eleutherococcus (Acanthopanax) senticosus). Eleutheroside B1 is found in tea and potato.

   

Solanolone

3,4,7,10-tetrahydroxy-6-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-one

C15H18O5 (278.1154)


Solanolone is found in potato. Solanolone is a constituent of potato tubers infected with Phoma exigua var. foveata. Constituent of potato tubers infected with Phoma exigua variety foveata. Solanolone is found in potato.

   

Cytochalasin B

16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,13H,14H,15H,15aH,16H,17H,18H,18bH-oxacyclotetradeca[3,2-e]isoindole-2,18-dione

C29H37NO5 (479.2672)


   

Risbitin

(1S,2R,3R,7R)-1-methyl-7-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol

C14H22O2 (222.162)


Risbitin, also known as rishitin, (1s-(1alpha,2beta,3alpha,7beta))-isomer, is a member of the class of compounds known as 1,2-diols. 1,2-diols are polyols containing an alcohol group at two adjacent positions. Risbitin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Risbitin can be found in potato, which makes risbitin a potential biomarker for the consumption of this food product.

   

Phytuberol

2-(3a,5a-dimethyl-6,7,8,9-tetrahydro-5H-furo[2,3-i][2]benzofuran-8-yl)propan-2-ol

C15H24O3 (252.1725)


Phytuberol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Phytuberol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Phytuberol can be found in potato, which makes phytuberol a potential biomarker for the consumption of this food product.

   

phytuberol

[3aR-(3aalpha,5abeta,8beta,9alphaR*)]- 5,5a,6,7,8,9-Hexahydro-alpha,alpha,3a,5a-tetramethyl-3aH-furo[3,2-c]isobenzofuran-8-methanol

C15H24O3 (252.1725)


   

solavetivone

(2R,5S,6R)-6,10-dimethyl-2-prop-1-en-2-yl-spiro[4.5]dec-9-en-8-one

C15H22O (218.1671)


A cyclic ketone derived from spiro[4.5]dec-6-en-8-one by substitution of hydrogens by methyl groups at positions 6 and 10, and by an isopropenyl group at position 2 (the (2R,5S,10R)-diastereoisomer).

   

3-Hydroxy-4-methyl-6-(1-methyl-1,2-dihydroxyethyl)-4,4a,5,6,7,8-hexahydronaphthalene-2(3H)-one

3-Hydroxy-4-methyl-6-(1-methyl-1,2-dihydroxyethyl)-4,4a,5,6,7,8-hexahydronaphthalene-2(3H)-one

C14H22O4 (254.1518)


   

Isofraxidin-7-glucoside

6,8-Dimethoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one

C17H20O10 (384.1056)


Calycanthoside is a natural product found in Salsola laricifolia, Boeremia exigua, and other organisms with data available.

   

Scopoletin

7-hydroxy-6-methoxychromen-2-one

C10H8O4 (192.0423)


relative retention time with respect to 9-anthracene Carboxylic Acid is 0.636 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.637 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.629 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.631 IPB_RECORD: 1582; CONFIDENCE confident structure Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).

   

Chrysophanic acid

1,8-dihydroxy-3-methylanthracene-9,10-dione

C15H10O4 (254.0579)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.321 D009676 - Noxae > D009153 - Mutagens relative retention time with respect to 9-anthracene Carboxylic Acid is 1.322 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.318 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.324 Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K. Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K.

   

Emodin

9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI)

C15H10O5 (270.0528)


C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D005765 - Gastrointestinal Agents > D002400 - Cathartics CONFIDENCE isolated standard relative retention time with respect to 9-anthracene Carboxylic Acid is 1.288 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.291 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.286 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.293 Emodin (Frangula emodin), an anthraquinone derivative, is an anti-SARS-CoV compound. Emodin blocks the SARS coronavirus spike protein and angiotensin-converting enzyme 2 (ACE2) interaction[1]. Emodin inhibits casein kinase-2 (CK2). Anti-inflammatory and anticancer effects[2]. Emodin is a potent selective 11β-HSD1 inhibitor with the IC50 of 186 and 86 nM for human and mouse 11β-HSD1, respectively. Emodin ameliorates metabolic disorder in diet-induced obese mice[3]. Emodin (Frangula emodin), an anthraquinone derivative, is an anti-SARS-CoV compound. Emodin blocks the SARS coronavirus spike protein and angiotensin-converting enzyme 2 (ACE2) interaction[1]. Emodin inhibits casein kinase-2 (CK2). Anti-inflammatory and anticancer effects[2]. Emodin is a potent selective 11β-HSD1 inhibitor with the IC50 of 186 and 86 nM for human and mouse 11β-HSD1, respectively. Emodin ameliorates metabolic disorder in diet-induced obese mice[3].

   

p-Hydroxybenzaldehyde

p-Hydroxybenzaldehyde

C7H6O2 (122.0368)


p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

   

4-Hydroxybenzaldehyde

4-hydroxybenzaldehyde

C7H6O2 (122.0368)


p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

   

Eleutheroside B1

6,8-dimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one

C17H20O10 (384.1056)


   

Phomarin

1,6-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione

C15H10O4 (254.0579)


   

(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside

2-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

C21H34O8 (414.2254)


   

(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one

2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

C15H24O3 (252.1725)


   

Solanolone

3,4,7,10-tetrahydroxy-6-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-one

C15H18O5 (278.1154)


   

Katahdinone

6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-en-8-one

C15H22O (218.1671)


   

3,11,12-Trihydroxy-1(10)-spirovetiven-2-one

2-(1,2-dihydroxypropan-2-yl)-9-hydroxy-6,10-dimethylspiro[4.5]dec-6-en-8-one

C15H24O4 (268.1675)


   

Scopoletol

2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI)

C10H8O4 (192.0423)


Scopoletin is an inhibitor of acetylcholinesterase (AChE). Scopoletin is an inhibitor of acetylcholinesterase (AChE).

   

Crysophanol

Chrysophanic acid (1,8-dihydroxy-3-methylanthraquinone)

C15H10O4 (254.0579)


D009676 - Noxae > D009153 - Mutagens Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K. Chrysophanol (Chrysophanic acid) is a natural anthraquinone, which inhibits EGF-induced phosphorylation of EGFR and suppresses activation of AKT and mTOR/p70S6K.

   

FR-0985

4-08-00-00251 (Beilstein Handbook Reference)

C7H6O2 (122.0368)


p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

   

rishitin

InChI=1\C14H22O2\c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10\h9-10,13-16H,1,4-7H2,2-3H3\t9-,10+,13+,14+\m0\s

C14H22O2 (222.162)


   

(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one

2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

C15H24O3 (252.1725)


(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is found in potato. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is a constituent of potatoes infected with Phoma exigua. Constituent of potatoes infected with Phoma exigua. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is found in potato.

   

Eleutheroside B1

6,8-dimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one

C17H20O10 (384.1056)


Calycanthoside is found in herbs and spices. Calycanthoside is a constituent of Calycanthus occidentalis (Californian allspice) From Siberian ginseng (Eleutherococcus (Acanthopanax) senticosus). Eleutheroside B1 is found in tea and potato.

   

5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO6 (495.2621)


   

16-benzyl-5,18-dihydroxy-9,14,15-trimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

16-benzyl-5,18-dihydroxy-9,14,15-trimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

C29H37NO4 (463.2722)


   

(5r,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

(5r,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO5 (479.2672)


   

16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO5 (479.2672)


   

(4e,12e)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(4e,12e)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)


   

(3s,3ar,4s,6s,6as,10r,14s,17ar)-3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h-cyclotrideca[d]isoindol-17-one

(3s,3ar,4s,6s,6as,10r,14s,17ar)-3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h-cyclotrideca[d]isoindol-17-one

C29H37NO4 (463.2722)


   

16-benzyl-13,18-dihydroxy-9,15-dimethyl-14-methylidene-6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindole-2,5-dione

16-benzyl-13,18-dihydroxy-9,15-dimethyl-14-methylidene-6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindole-2,5-dione

C29H35NO5 (477.2515)


   

(1s,4z,6r,10r,12z,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(1s,4z,6r,10r,12z,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)


   

(5r,9r,12ar,15s,15as,16s,18as)-16-benzyl-5,18-dihydroxy-9,14,15-trimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

(5r,9r,12ar,15s,15as,16s,18as)-16-benzyl-5,18-dihydroxy-9,14,15-trimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

C29H37NO4 (463.2722)


   

5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO6 (495.2621)


   

22-benzyl-18,24-dihydroxy-13,20-dimethyl-19-methylidene-4-oxo-2,3,7-trioxa-23-azatetracyclo[15.7.0.0¹,²¹.0⁶,⁸]tetracosa-8,15,23-triene-9-carbaldehyde

22-benzyl-18,24-dihydroxy-13,20-dimethyl-19-methylidene-4-oxo-2,3,7-trioxa-23-azatetracyclo[15.7.0.0¹,²¹.0⁶,⁸]tetracosa-8,15,23-triene-9-carbaldehyde

C31H37NO7 (535.257)


   

20-benzyl-6,22-dihydroxy-17,18-dimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

20-benzyl-6,22-dihydroxy-17,18-dimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C28H35NO5 (465.2515)


   

(5r,9r,12as,15s,15as,16s,18ar)-16-benzyl-5,18-dihydroxy-9,14,15-trimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

(5r,9r,12as,15s,15as,16s,18ar)-16-benzyl-5,18-dihydroxy-9,14,15-trimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

C29H37NO4 (463.2722)


   

(1s,4e,7r,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(1s,4e,7r,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)


   

(1s,4e,6r,10r,12e,14r,15s,17r,18s,19s,20s)-20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(1s,4e,6r,10r,12e,14r,15s,17r,18s,19s,20s)-20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO6 (495.2621)


   

(2r,5s,10r)-2-[(2s)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

(2r,5s,10r)-2-[(2s)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

C21H34O8 (414.2254)


   

(2r,5s,10s)-2-[(2r)-1,2-dihydroxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

(2r,5s,10s)-2-[(2r)-1,2-dihydroxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

C15H24O3 (252.1725)


   

(5r,9r,12as,15s,15as,16s,18ar)-16-benzyl-5,18-dihydroxy-14-(hydroxymethyl)-9,15-dimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

(5r,9r,12as,15s,15as,16s,18ar)-16-benzyl-5,18-dihydroxy-14-(hydroxymethyl)-9,15-dimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

C29H37NO5 (479.2672)


   

6-methyl-2-oxa-6-azatricyclo[3.3.1.0³,⁷]nonan-4-ol

6-methyl-2-oxa-6-azatricyclo[3.3.1.0³,⁷]nonan-4-ol

C8H13NO2 (155.0946)


   

(5r,9r,12ar,13s,15s,15as,16s,18as)-16-benzyl-5,18-dihydroxy-9,15-dimethyl-14-methylidene-2-oxo-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-13-yl acetate

(5r,9r,12ar,13s,15s,15as,16s,18as)-16-benzyl-5,18-dihydroxy-9,15-dimethyl-14-methylidene-2-oxo-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-13-yl acetate

C31H39NO6 (521.2777)


   

(1r,4e,6r,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(1r,4e,6r,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)


   

(3s,3ar,4s,6s,6ar,10r,14r)-3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h,15h,16h-cyclotrideca[d]isoindol-17-one

(3s,3ar,4s,6s,6ar,10r,14r)-3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h,15h,16h-cyclotrideca[d]isoindol-17-one

C29H39NO4 (465.2879)


   

(1s,4e,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(1s,4e,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)


   

(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO6 (495.2621)


   

3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h-cyclotrideca[d]isoindol-17-one

3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h-cyclotrideca[d]isoindol-17-one

C29H37NO4 (463.2722)


   

(10r,13ar,14s,16s,16as,17s,19as)-17-benzyl-14,19-dihydroxy-10,16-dimethyl-15-methylidene-2,5,6-trioxo-7h,8h,9h,10h,11h,13ah,14h,16h,16ah,17h-oxacyclopentadeca[2,3-d]isoindole-3-carbaldehyde

(10r,13ar,14s,16s,16as,17s,19as)-17-benzyl-14,19-dihydroxy-10,16-dimethyl-15-methylidene-2,5,6-trioxo-7h,8h,9h,10h,11h,13ah,14h,16h,16ah,17h-oxacyclopentadeca[2,3-d]isoindole-3-carbaldehyde

C31H35NO7 (533.2413)


   

(3r,4r,4ar,10s,10ar)-3,4,7,10-tetrahydroxy-6-methyl-2,3,4,4a,10,10a-hexahydro-1h-phenanthren-9-one

(3r,4r,4ar,10s,10ar)-3,4,7,10-tetrahydroxy-6-methyl-2,3,4,4a,10,10a-hexahydro-1h-phenanthren-9-one

C15H18O5 (278.1154)


   

(6s,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

(6s,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO5 (479.2672)


   

20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

20-benzyl-6,15,22-trihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO6 (495.2621)


   

1-hydroxy-3-methylanthracene-9,10-dione

1-hydroxy-3-methylanthracene-9,10-dione

C15H10O3 (238.063)


   

16-benzyl-5,18-dihydroxy-14-(hydroxymethyl)-9,15-dimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

16-benzyl-5,18-dihydroxy-14-(hydroxymethyl)-9,15-dimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO5 (479.2672)


   

(2r,5s,10r)-2-[(2r)-1,2-dihydroxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

(2r,5s,10r)-2-[(2r)-1,2-dihydroxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

C15H24O3 (252.1725)


   

20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)


   

(5s,10r)-2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

(5s,10r)-2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

C15H24O3 (252.1725)


   

(9r,12as,13s,15s,15as,16s,18as)-16-benzyl-13,18-dihydroxy-9,15-dimethyl-14-methylidene-6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindole-2,5-dione

(9r,12as,13s,15s,15as,16s,18as)-16-benzyl-13,18-dihydroxy-9,15-dimethyl-14-methylidene-6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindole-2,5-dione

C29H35NO5 (477.2515)


   

(5r,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-5,18-dihydroxy-9,15-dimethyl-14-methylidene-2-oxo-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-13-yl acetate

(5r,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-5,18-dihydroxy-9,15-dimethyl-14-methylidene-2-oxo-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-13-yl acetate

C31H39NO6 (521.2777)


   

(1s,17r,19e,22s,24s,26s)-26-benzyl-8,9,22,28-tetrahydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13-dioxo-2-oxa-27-azapentacyclo[19.7.0.0¹,²⁵.0⁶,¹².0⁷,¹⁰]octacosa-4,6(12),19,27-tetraene-7-carboximidic acid

(1s,17r,19e,22s,24s,26s)-26-benzyl-8,9,22,28-tetrahydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13-dioxo-2-oxa-27-azapentacyclo[19.7.0.0¹,²⁵.0⁶,¹².0⁷,¹⁰]octacosa-4,6(12),19,27-tetraene-7-carboximidic acid

C38H46N2O9 (674.3203)


   

17-benzyl-14,19-dihydroxy-10,16-dimethyl-15-methylidene-2,5,6-trioxo-7h,8h,9h,10h,11h,13ah,14h,16h,16ah,17h-oxacyclopentadeca[2,3-d]isoindole-3-carbaldehyde

17-benzyl-14,19-dihydroxy-10,16-dimethyl-15-methylidene-2,5,6-trioxo-7h,8h,9h,10h,11h,13ah,14h,16h,16ah,17h-oxacyclopentadeca[2,3-d]isoindole-3-carbaldehyde

C31H35NO7 (533.2413)


   

(1s,4e,6r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-17,18-dimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(1s,4e,6r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-17,18-dimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C28H35NO5 (465.2515)


   

(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

(5r,9r,12as,13s,15s,15as,16s,18as)-5,13,18-trihydroxy-16-[(4-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO6 (495.2621)


   

(3s,3ar,4s,6s,6ar,10r,14r,17as)-3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h-cyclotrideca[d]isoindol-17-one

(3s,3ar,4s,6s,6ar,10r,14r,17as)-3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h-cyclotrideca[d]isoindol-17-one

C29H37NO4 (463.2722)


   

(5r,9r,12ar,13s,15s,15as,16s,18as)-16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

(5r,9r,12ar,13s,15s,15as,16s,18as)-16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO5 (479.2672)


   

(2r,3s)-3-(2-hydroxypropan-2-yl)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol

(2r,3s)-3-(2-hydroxypropan-2-yl)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-ol

C15H22O2 (234.162)


   

(1s,3z,16r,18e,21s,23s,25s)-25-benzyl-7,8,21,27-tetrahydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12-dioxo-26-azapentacyclo[18.7.0.0¹,²⁴.0⁵,¹¹.0⁶,⁹]heptacosa-3,5(11),18,26-tetraene-6-carboximidic acid

(1s,3z,16r,18e,21s,23s,25s)-25-benzyl-7,8,21,27-tetrahydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12-dioxo-26-azapentacyclo[18.7.0.0¹,²⁴.0⁵,¹¹.0⁶,⁹]heptacosa-3,5(11),18,26-tetraene-6-carboximidic acid

C38H46N2O8 (658.3254)


   

(2r,5s,10s)-2-[(2r)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

(2r,5s,10s)-2-[(2r)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

C21H34O8 (414.2254)


   

25-benzyl-7,8,21,27-tetrahydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12-dioxo-26-azapentacyclo[18.7.0.0¹,²⁴.0⁵,¹¹.0⁶,⁹]heptacosa-3,5(11),18,26-tetraene-6-carboximidic acid

25-benzyl-7,8,21,27-tetrahydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12-dioxo-26-azapentacyclo[18.7.0.0¹,²⁴.0⁵,¹¹.0⁶,⁹]heptacosa-3,5(11),18,26-tetraene-6-carboximidic acid

C38H46N2O8 (658.3254)


   

(1s,3z,6s,7r,8s,9r,10r,16r,18e,20r,21s,23s,24r,25s)-25-benzyl-7,8,21,27-tetrahydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12-dioxo-26-azapentacyclo[18.7.0.0¹,²⁴.0⁵,¹¹.0⁶,⁹]heptacosa-3,5(11),18,26-tetraene-6-carboximidic acid

(1s,3z,6s,7r,8s,9r,10r,16r,18e,20r,21s,23s,24r,25s)-25-benzyl-7,8,21,27-tetrahydroxy-10-methoxy-16,23-dimethyl-22-methylidene-2,12-dioxo-26-azapentacyclo[18.7.0.0¹,²⁴.0⁵,¹¹.0⁶,⁹]heptacosa-3,5(11),18,26-tetraene-6-carboximidic acid

C38H46N2O8 (658.3254)


   

2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]deca-6,9-dien-8-one

2-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]deca-6,9-dien-8-one

C15H22O3 (250.1569)


   

(6r,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

(6r,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO5 (479.2672)


   

(1r,3r,4r,5r,7s)-6-methyl-2-oxa-6-azatricyclo[3.3.1.0³,⁷]nonan-4-ol

(1r,3r,4r,5r,7s)-6-methyl-2-oxa-6-azatricyclo[3.3.1.0³,⁷]nonan-4-ol

C8H13NO2 (155.0946)


   

(1s,4e,6r,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(1s,4e,6r,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)


   

(1s,6s,8z,13r,15e,17r,18s,20s,21s,22s)-22-benzyl-18,24-dihydroxy-13,20-dimethyl-19-methylidene-4-oxo-2,3,7-trioxa-23-azatetracyclo[15.7.0.0¹,²¹.0⁶,⁸]tetracosa-8,15,23-triene-9-carbaldehyde

(1s,6s,8z,13r,15e,17r,18s,20s,21s,22s)-22-benzyl-18,24-dihydroxy-13,20-dimethyl-19-methylidene-4-oxo-2,3,7-trioxa-23-azatetracyclo[15.7.0.0¹,²¹.0⁶,⁸]tetracosa-8,15,23-triene-9-carbaldehyde

C31H37NO7 (535.257)


   

16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one

C29H37NO5 (479.2672)


   

20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)


   

(5r,9r,12ar,13s,15s,15ar,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

(5r,9r,12ar,13s,15s,15ar,16s,18as)-5,13,18-trihydroxy-16-[(2-hydroxyphenyl)methyl]-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

C29H37NO6 (495.2621)


   

(10r,14s,16s,17s,19ar)-17-benzyl-14,19-dihydroxy-10,16-dimethyl-15-methylidene-2,5,6-trioxo-7h,8h,9h,10h,11h,13ah,14h,16h,16ah,17h-oxacyclopentadeca[2,3-d]isoindole-3-carbaldehyde

(10r,14s,16s,17s,19ar)-17-benzyl-14,19-dihydroxy-10,16-dimethyl-15-methylidene-2,5,6-trioxo-7h,8h,9h,10h,11h,13ah,14h,16h,16ah,17h-oxacyclopentadeca[2,3-d]isoindole-3-carbaldehyde

C31H35NO7 (533.2413)


   

6-(1,2-dihydroxypropan-2-yl)-3-hydroxy-4-methyl-4,4a,5,6,7,8-hexahydro-3h-naphthalen-2-one

6-(1,2-dihydroxypropan-2-yl)-3-hydroxy-4-methyl-4,4a,5,6,7,8-hexahydro-3h-naphthalen-2-one

C14H22O4 (254.1518)


   

(3s,4s,6s,10r,14r,17ar)-3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h-cyclotrideca[d]isoindol-17-one

(3s,4s,6s,10r,14r,17ar)-3-benzyl-1,6,14-trihydroxy-4,10-dimethyl-5-methylidene-3h,3ah,4h,6h,6ah,9h,10h,11h,12h,13h,14h-cyclotrideca[d]isoindol-17-one

C29H37NO4 (463.2722)


   

(2r,5s,10r)-2-[(2s)-1,2-dihydroxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

(2r,5s,10r)-2-[(2s)-1,2-dihydroxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one

C15H24O3 (252.1725)


   

(1s,4e,7s,10r,12e,14r,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(1s,4e,7s,10r,12e,14r,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)


   

26-benzyl-8,9,22,28-tetrahydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13-dioxo-2-oxa-27-azapentacyclo[19.7.0.0¹,²⁵.0⁶,¹².0⁷,¹⁰]octacosa-4,6(12),19,27-tetraene-7-carboximidic acid

26-benzyl-8,9,22,28-tetrahydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13-dioxo-2-oxa-27-azapentacyclo[19.7.0.0¹,²⁵.0⁶,¹².0⁷,¹⁰]octacosa-4,6(12),19,27-tetraene-7-carboximidic acid

C38H46N2O9 (674.3203)


   

(1s,4z,7s,8r,9r,10r,11s,17r,19e,21s,22s,24s,25s,26s)-26-benzyl-8,9,22,28-tetrahydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13-dioxo-2-oxa-27-azapentacyclo[19.7.0.0¹,²⁵.0⁶,¹².0⁷,¹⁰]octacosa-4,6(12),19,27-tetraene-7-carboximidic acid

(1s,4z,7s,8r,9r,10r,11s,17r,19e,21s,22s,24s,25s,26s)-26-benzyl-8,9,22,28-tetrahydroxy-11-methoxy-17,24-dimethyl-23-methylidene-3,13-dioxo-2-oxa-27-azapentacyclo[19.7.0.0¹,²⁵.0⁶,¹².0⁷,¹⁰]octacosa-4,6(12),19,27-tetraene-7-carboximidic acid

C38H46N2O9 (674.3203)


   

(6r,9r,12ar,13s,15s,15ar,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

(6r,9r,12ar,13s,15s,15ar,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one

C29H37NO5 (479.2672)


   

16-benzyl-5,18-dihydroxy-9,15-dimethyl-14-methylidene-2-oxo-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-13-yl acetate

16-benzyl-5,18-dihydroxy-9,15-dimethyl-14-methylidene-2-oxo-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-13-yl acetate

C31H39NO6 (521.2777)


   

(1s,4e,7s,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

(1s,4e,7s,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one

C29H37NO5 (479.2672)