NCBI Taxonomy: 282629

Phebalium clavatum (ncbi_taxid: 282629)

found 80 associated metabolites at species taxonomy rank level.

Ancestor: Phebalium

Child Taxonomies: none taxonomy data.

Scopoletin

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

C10H8O4 (192.0422568)


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).

   

Psoralen

7H-furo[3,2-g]chromen-7-one

C11H6O3 (186.0316926)


Psoralen is the simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. It has a role as a plant metabolite. 8-methoxsalen and 5-methoxsalen are furocoumarins referred to collectively as psoralens that have photosensitizing activity and are used orally and topically in conjunction with ultraviolet irradiation for the therapy of psoriasis and vitiligo. Psoralens have been linked to a low rate of transient serum enzyme elevations during therapy and to rare instances of clinically apparent acute liver injury. Psoralen is a natural product found in Cullen cinereum, Ficus erecta var. beecheyana, and other organisms with data available. Psoralen is a furocoumarin that intercalates with DNA, inhibiting DNA synthesis and cell division. Psoralen is used in Photochemotherapy with high-intensity long-wavelength UVA irradiation. Psoralens are tricyclic furocumarins and have a strong tendency to intercalate with DNA base pairs. Irradiation of nucleic acids in the presence of psoralen with long wave UV (~360 nm) results in the 2+2 cyclo- addition of either of its two photoreactive sites with 5,6-carbon bonds of pyrimidines resulting in crosslinking double-stranded nucleic acids. Psoralen is found in carrot. Psoralen is found in common vegetables, e.g. parsnip, celery especially if diseased or `spoiled Psoralen is a significant mutagen and is used for this purpose in molecular biology research.Psoralen has been shown to exhibit anti-proliferative, anti-allergenic and anti-histamine functions (A7781, A7782, A7782).Psoralen belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking. See also: Angelica keiskei top (part of); Cullen corylifolium fruit (part of). Psoralen, also known as psoralene, ficusin or manaderm, belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Psoralen is the parent compound in a family of naturally occurring organic compounds known as the linear furanocoumarins. Psoralen is structurally related to coumarin by the addition of a fused furan ring and is considered as a derivative of umbelliferone. Biosynthetically, psoralen originates from coumarins in the shikimate pathway. Psoralen is produced exclusively by plants but can be found in animals that consume these plants. Psoralen can be found in several plant sources with Ficus carica (the common fig) being probably the most abundant source of psoralens. They are also found in small quantities in Ammi visnaga (bisnaga), Pastinaca sativa (parsnip), Petroselinum crispum (parsley), Levisticum officinale (lovage), Foeniculum vulgare (fruit, i.e., Fennel seeds), Daucus carota (carrot), Psoralea corylifolia (babchi), Apium graveolens (celery), and bergamot oil (bergapten, bergamottin). Psoralen is found in all citrus fruits. Psoralen is a well-known mutagen and is used for this purpose in molecular biology research. Psoralen intercalates into DNA and on exposure to ultraviolet (UVA) radiation can form monoadducts and covalent inter-strand cross-links (ICL) with thymines in the DNA molecule. Psoralen also functions as a drug. An important use of psoralen is in the treatment for skin problems such as psoriasis and, to a lesser extent, eczema and vitiligo. This treatment takes advantage of the high UV absorbance of psoralen. In treating these skin conditions psoralen is applied first to sensitise the skin, then UVA light is applied to clean up the skin problem. Psoralen has also been recommended for treating alopecia. The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics Found in common vegetables, e.g. parsnip, celery especies if diseased or `spoiled D003879 - Dermatologic Agents INTERNAL_ID 18; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 18 Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1]. Psoralen. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=66-97-7 (retrieved 2024-10-18) (CAS RN: 66-97-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Luvangetin

10-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b]dipyran-2-one

C15H14O4 (258.0892044)


   

methyl 3-(4-hydroxyphenyl)prop-2-enoate

methyl 3-(4-hydroxyphenyl)prop-2-enoate

C10H10O3 (178.062991)


   

Methyl p-coumarate

4-coumaric acid methyl ester, (E)-isomer

C10H10O3 (178.062991)


Methyl p-coumarate, also known as 4-coumaric acid methyl ester, is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. Methyl p-coumarate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Methyl p-coumarate can be found in bamboo shoots and garden onion, which makes methyl p-coumarate a potential biomarker for the consumption of these food products. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2]. Methyl p-coumarate (Methyl 4-hydroxycinnamate), an esterified derivative of p-Coumaric acid (pCA), is isolated from the flower of Trixis michuacana var longifolia. Methyl p-coumarate could inhibit the melanin formation in B16 mouse melanoma cells. Methyl p-coumarate also has strong in vitro inhibitory effect on A. alternata and other pathogens[1][2].

   

Scopoletin

Scopoletin

C10H8O4 (192.0422568)


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).

   

Psoralen

Psoralen

C11H6O3 (186.0316926)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics relative retention time with respect to 9-anthracene Carboxylic Acid is 0.856 D003879 - Dermatologic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.851 Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1]. Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1].

   

Scopoletol

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

C10H8O4 (192.0422568)


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

   

Ficusin

2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, .delta.-lactone

C11H6O3 (186.0316926)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D003879 - Dermatologic Agents Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1]. Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1].

   

methyl (3e)-2-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

methyl (3e)-2-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

C16H16O7 (320.0895986)


   

methyl (2s,3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

methyl (2s,3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

C16H16O7 (320.0895986)


   

methyl (2e)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl (2e)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O7 (320.0895986)


   

(2e)-3-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)prop-2-enoic acid

(2e)-3-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)prop-2-enoic acid

C9H10O4 (182.057906)


   

methyl (2e)-4-(7-hydroxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl (2e)-4-(7-hydroxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C15H14O5 (274.0841194)


   

methyl (2e)-4-(7,8-dihydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methylbut-2-enoate

methyl (2e)-4-(7,8-dihydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methylbut-2-enoate

C15H14O7 (306.0739494)


   

methyl 4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl 4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O7 (320.0895986)


   

methyl (2s,3e)-2-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

methyl (2s,3e)-2-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

C16H16O7 (320.0895986)


   

methyl (3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

methyl (3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

C16H16O7 (320.0895986)


   

methyl (2e)-4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl (2e)-4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O7 (320.0895986)


   

methyl (2e,4s)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl (2e,4s)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O7 (320.0895986)


   

methyl 4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl 4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O6 (304.0946836)


   

methyl (2r,3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

methyl (2r,3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

C16H16O7 (320.0895986)


   

methyl (2e,4s)-4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl (2e,4s)-4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O7 (320.0895986)


   

(2e)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol

(2e)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol

C14H16O2 (216.1150236)


   

methyl (2e)-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl (2e)-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O6 (304.0946836)


   

methyl 4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl 4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O6 (304.0946836)


   

methyl (2e,4r)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl (2e,4r)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O7 (320.0895986)


   

methyl 2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

methyl 2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

C16H16O7 (320.0895986)


   

methyl 2-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

methyl 2-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate

C16H16O7 (320.0895986)


   

methyl 4-(7,8-dihydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methylbut-2-enoate

methyl 4-(7,8-dihydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methylbut-2-enoate

C15H14O7 (306.0739494)


   

methyl (2e,4s)-4-(7,8-dihydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methylbut-2-enoate

methyl (2e,4s)-4-(7,8-dihydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methylbut-2-enoate

C15H14O7 (306.0739494)


   

methyl (2e)-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl (2e)-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O6 (304.0946836)


   

9-{[(2e,6s)-6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}furo[3,2-g]chromen-7-one

9-{[(2e,6s)-6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}furo[3,2-g]chromen-7-one

C21H22O6 (370.1416312)


   

methyl 4-(7-hydroxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl 4-(7-hydroxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C15H14O5 (274.0841194)


   

methyl 4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

methyl 4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate

C16H16O7 (320.0895986)