Retronecine

InChI=1/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8-/m1/s

C8H13NO2 (155.0946238)


Retronecine is a member of pyrrolizines. Retronecine is a natural product found in Senecio nebrodensis, Lappula spinocarpos, and other organisms with data available. Retronecine is a pyrrolizidine alkaloid found in a variety of plants in the genera Senecio and Crotalaria, and the family Boraginaceae. It is the most common central core for other pyrrolizidine alkaloids. Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Pyrrolizidine alkaloids

   

Stearic acid

1-Heptadecanecarboxylic acid

C18H36O2 (284.2715156)


Stearic acid, also known as stearate or N-octadecanoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, stearic acid is considered to be a fatty acid lipid molecule. Stearic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Stearic acid can be synthesized from octadecane. Stearic acid is also a parent compound for other transformation products, including but not limited to, 3-oxooctadecanoic acid, (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid, and 16-methyloctadecanoic acid. Stearic acid can be found in a number of food items such as green bell pepper, common oregano, ucuhuba, and babassu palm, which makes stearic acid a potential biomarker for the consumption of these food products. Stearic acid can be found primarily in most biofluids, including urine, feces, cerebrospinal fluid (CSF), and sweat, as well as throughout most human tissues. Stearic acid exists in all living species, ranging from bacteria to humans. In humans, stearic acid is involved in the plasmalogen synthesis. Stearic acid is also involved in mitochondrial beta-oxidation of long chain saturated fatty acids, which is a metabolic disorder. Moreover, stearic acid is found to be associated with schizophrenia. Stearic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Stearic acid ( STEER-ik, stee-ARR-ik) is a saturated fatty acid with an 18-carbon chain and has the IUPAC name octadecanoic acid. It is a waxy solid and its chemical formula is C17H35CO2H. Its name comes from the Greek word στέαρ "stéar", which means tallow. The salts and esters of stearic acid are called stearates. As its ester, stearic acid is one of the most common saturated fatty acids found in nature following palmitic acid. The triglyceride derived from three molecules of stearic acid is called stearin . Stearic acid, also known as octadecanoic acid or C18:0, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Stearic acid (its ester is called stearate) is a saturated fatty acid that has 18 carbons and is therefore a very hydrophobic molecule that is practically insoluble in water. It exists as a waxy solid. In terms of its biosynthesis, stearic acid is produced from carbohydrates via the fatty acid synthesis machinery wherein acetyl-CoA contributes two-carbon building blocks, up to the 16-carbon palmitate, via the enzyme complex fatty acid synthase (FA synthase), at which point a fatty acid elongase is needed to further lengthen it. After synthesis, there are a variety of reactions it may undergo, including desaturation to oleate via stearoyl-CoA desaturase (PMID: 16477801). Stearic acid is found in all living organisms ranging from bacteria to plants to animals. It is one of the useful types of saturated fatty acids that comes from many animal and vegetable fats and oils. For example, it is a component of cocoa butter and shea butter. It is used as a food additive, in cleaning and personal care products, and in lubricants. Its name comes from the Greek word stear, which means ‚Äòtallow‚Äô or ‚Äòhard fat‚Äô. Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils. Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils.

   

Phenol

Hydroxybenzene

C6H6O (94.0418626)


D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives C - Cardiovascular system > C05 - Vasoprotectives > C05B - Antivaricose therapy > C05BB - Sclerosing agents for local injection An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local D000890 - Anti-Infective Agents D002317 - Cardiovascular Agents D004202 - Disinfectants CONFIDENCE standard compound; INTERNAL_ID 225

   

Jacobine

Jacobine

C18H25NO6 (351.168179)


INTERNAL_ID 2254; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2254 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 115 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 145 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 175 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 155 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 125 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 165 INTERNAL_ID 135; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 135 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 105

   

Phenol

Phenolated water for disinfection

C6H6O (94.0418626)


Phenol, is a toxic, colourless crystalline solid with a sweet tarry odor that resembles a hospital smell. It is commonly used as an antiseptic and disinfectant. It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. It has been used to disinfect skin and to relieve itching. Phenol is also used in the preparation of cosmetics including sunscreens, hair dyes, and skin lightening preparations. It is also used in the production of drugs (it is the starting material in the industrial production of aspirin), weedkillers, and synthetic resins. Phenol can be found in areas with high levels of motor traffic, therefore, people living in crowded urban areas are frequently exposed to traffic-derived phenol vapor. The average (mean +/- SD) phenol concentration in urine among normal individuals living in urban areas is 7.4 +/- 2.2 mg/g of creatinine. Exposure of the skin to concentrated phenol solutions causes chemical burns which may be severe; in laboratories where it is used, it is usually recommended that polyethylene glycol solution is kept available for washing off splashes. Notwithstanding the effects of concentrated solutions, it is also used in cosmetic surgery as an exfoliant, to remove layers of dead skin (Wikipedia). In some bacteria phenol can be directly synthesized from tyrosine via the enzyme tyrosine phenol-lyase [EC:4.1.99.2]. It can be produced by Escherichia and Pseudomonas. Phenol has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). It is used as a flavouring agent in a few foods, at maximum levels below 10 ppm

   

Dimethyl succinate

Butanedioic acid, 1,4-dimethyl ester

C6H10O4 (146.057906)


Dimethyl succinate, also known as DBE-4 or fema 2396, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Present in roasted filberts. Flavouring ingredient. Dimethyl succinate is found in nuts.

   

1-Pentadecene

Pentadec-1-ene

C15H30 (210.234738)


1-Pentadecene, also known as pentadec-1-ene, belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. 1-Pentadecene is an unbranched fifteen-carbon alkene with one double bond between C-1 and C-2. These compounds contain one or more double or triple bonds. Thus, 1-pentadecene is considered to be a hydrocarbon lipid molecule. 1-Pentadecene is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 1-Pentadecene is found, on average, in the highest concentration within safflowers. 1-Pentadecene has also been detected, but not quantified, in burdocks and watermelons. This could make 1-pentadecene a potential biomarker for the consumption of these foods. Occurs in beef and oakmoss oleoresin. 1-Pentadecene is found in many foods, some of which are animal foods, burdock, safflower, and watermelon.

   

alpha-Amyrin

4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol

C30H50O (426.386145)


Epi-alpha-amyrin, also known as epi-α-amyrin, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Epi-alpha-amyrin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Epi-alpha-amyrin can be found in herbs and spices, pomes, and rosemary, which makes epi-alpha-amyrin a potential biomarker for the consumption of these food products.

   

Jacobine

SPIRO((1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-3(2H),2-OXIRANE)-2,7(4H)-DIONE, 5,6,9,11,13,14,14A,14B-OCTAHYDRO-6-HYDROXY-3,5,6-TRIMETHYL-, (2S,3S,5R,6R,14AR,14BR)-

C18H25NO6 (351.168179)


Jacobine is a pyrrolizine alkaloid. Jacobine is a natural product found in Crotalaria micans, Senecio brasiliensis, and other organisms with data available.

   

stearic acid

stearic acid

C18H36O2 (284.2715156)


Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils. Stearic acid is a long chain dietary saturated fatty acid which exists in many animal and vegetable fats and oils.

   

Octadecanoic acid

Octadecanoic acid

C18H36O2 (284.2715156)


A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.

   

Epi-a-amyrin

4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol

C30H50O (426.386145)


   

g-Muurolene

7-methyl-4-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

C15H24 (204.18779039999998)


   

1-PENTADECENE

1-PENTADECENE

C15H30 (210.234738)


An unbranched fifteen-carbon alkene with one double bond between C-1 and C-2.

   

CHEBI:15385

(1S,8AR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene

C15H24 (204.18779039999998)


   

DIMETHYL SUCCINATE

DIMETHYL SUCCINATE

C6H10O4 (146.057906)


   

delta-Cadinene

delta-Cadinene

C15H24 (204.18779039999998)


A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (position 8a).

   

(1'r,2s,3r,6'r,7'r,17'r)-7'-hydroxy-3,6',7'-trimethyl-2',9'-dioxa-14'-azaspiro[oxirane-2,4'-tricyclo[9.5.1.0¹⁴,¹⁷]heptadecan]-11'-ene-3',8'-dione

(1'r,2s,3r,6'r,7'r,17'r)-7'-hydroxy-3,6',7'-trimethyl-2',9'-dioxa-14'-azaspiro[oxirane-2,4'-tricyclo[9.5.1.0¹⁴,¹⁷]heptadecan]-11'-ene-3',8'-dione

C18H25NO6 (351.168179)


   

{9-methoxy-4,5-dimethylnaphtho[2,3-b]furan-3-yl}methyl acetate

{9-methoxy-4,5-dimethylnaphtho[2,3-b]furan-3-yl}methyl acetate

C18H18O4 (298.1205028)


   

methyl (3e,9e,11e)-octadeca-3,9,11,17-tetraen-5,7-diynoate

methyl (3e,9e,11e)-octadeca-3,9,11,17-tetraen-5,7-diynoate

C19H22O2 (282.1619712)


   

(5r,7s,9z,12r,18r)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.0⁵,⁷.0¹⁵,¹⁸]octadec-1(17)-ene-4,10-dione

(5r,7s,9z,12r,18r)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.0⁵,⁷.0¹⁵,¹⁸]octadec-1(17)-ene-4,10-dione

C18H23NO6 (349.1525298)


   

(1r,4e,6r,7r,17r)-7-hydroxy-4-(2-hydroxyethylidene)-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

(1r,4e,6r,7r,17r)-7-hydroxy-4-(2-hydroxyethylidene)-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

C18H25NO6 (351.168179)


   

4-ethylidene-7-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecan-14-ium-14-olate

4-ethylidene-7-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecan-14-ium-14-olate

C18H27NO6 (353.1838282)


   

methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate

methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate

C9H10O4 (182.057906)


   

(4ar,7r,8as)-7-isopropyl-4a-methyl-4-oxo-3,5,6,7,8,8a-hexahydronaphthalene-1-carbaldehyde

(4ar,7r,8as)-7-isopropyl-4a-methyl-4-oxo-3,5,6,7,8,8a-hexahydronaphthalene-1-carbaldehyde

C15H22O2 (234.1619712)


   

(1r,2s,3's,3'ar,4's,5s)-1,3'a,4'-trimethyl-3-oxo-3',4',5',6'-tetrahydro-1'h-4,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-inden]-3'-yl (2r)-2-methylbutanoate

(1r,2s,3's,3'ar,4's,5s)-1,3'a,4'-trimethyl-3-oxo-3',4',5',6'-tetrahydro-1'h-4,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-inden]-3'-yl (2r)-2-methylbutanoate

C20H28O5 (348.1936638)


   

(3as,5ar)-1-[(4e)-5,6-dimethylhept-4-en-2-yl]-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate

(3as,5ar)-1-[(4e)-5,6-dimethylhept-4-en-2-yl]-3a,3b,6,6,9a-pentamethyl-2h,3h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate

C33H54O2 (482.41235839999996)


   

7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione

7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione

C19H27NO7 (381.1787432)


   

oppsit-4(15)-ene-1β,11-diol

oppsit-4(15)-ene-1β,11-diol

C15H26O2 (238.1932696)


   

retroprogesterone

retroprogesterone

C21H30O2 (314.224568)


   

4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

C18H26ClNO6 (387.1448566)


   

1-(2-hydroxy-2-methylpropyl)-3a-methyl-7-methylidene-hexahydro-1h-inden-4-ol

1-(2-hydroxy-2-methylpropyl)-3a-methyl-7-methylidene-hexahydro-1h-inden-4-ol

C15H26O2 (238.1932696)


   

(7ar)-1,1,7-trimethyl-4-methylidene-octahydrocyclopropa[e]azulen-7-ol

(7ar)-1,1,7-trimethyl-4-methylidene-octahydrocyclopropa[e]azulen-7-ol

C15H24O (220.18270539999997)


   

(1'r,2s,3s,7'r,17'r)-7'-hydroxy-3,7'-dimethyl-6'-methylidene-2',9'-dioxa-14'-azaspiro[oxirane-2,4'-tricyclo[9.5.1.0¹⁴,¹⁷]heptadecan]-11'-ene-3',8'-dione

(1'r,2s,3s,7'r,17'r)-7'-hydroxy-3,7'-dimethyl-6'-methylidene-2',9'-dioxa-14'-azaspiro[oxirane-2,4'-tricyclo[9.5.1.0¹⁴,¹⁷]heptadecan]-11'-ene-3',8'-dione

C18H23NO6 (349.1525298)


   

3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-5h-furan-2-one

3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-5h-furan-2-one

C9H12O7 (232.0583002)


   

[(5s)-9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl (2z)-2-methylbut-2-enoate

[(5s)-9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-4-yl]methyl (2z)-2-methylbut-2-enoate

C21H24O4 (340.1674504)


   

(1s,3'r,4s,6s,7r,11z)-7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione

(1s,3'r,4s,6s,7r,11z)-7-hydroxy-3',6,7,14-tetramethyl-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-ene-3,8,17-trione

C19H27NO7 (381.1787432)


   

(9e)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.0⁵,⁷.0¹⁵,¹⁸]octadec-1(17)-ene-4,10-dione

(9e)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.0⁵,⁷.0¹⁵,¹⁸]octadec-1(17)-ene-4,10-dione

C18H23NO6 (349.1525298)


   

(5s)-9-methoxy-2-({9-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4-yl}methyl)-3,4,5-trimethyl-5h,6h-naphtho[2,3-b]furan

(5s)-9-methoxy-2-({9-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4-yl}methyl)-3,4,5-trimethyl-5h,6h-naphtho[2,3-b]furan

C32H32O4 (480.2300472)


   

(4e)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

(4e)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione

C18H25NO5 (335.173264)


   

(2e)-2-tetradecene

(2e)-2-tetradecene

C14H28 (196.2190888)


   

5-hydroxy-8-isopropyl-5-methyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalene-2-carbaldehyde

5-hydroxy-8-isopropyl-5-methyl-4,4a,6,7,8,8a-hexahydro-3h-naphthalene-2-carbaldehyde

C15H24O2 (236.1776204)


   

(1r,3's,4s,6r,7r,11z)-3',6,7,14-tetramethyl-3,8,17-trioxo-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-en-7-yl acetate

(1r,3's,4s,6r,7r,11z)-3',6,7,14-tetramethyl-3,8,17-trioxo-2,9-dioxa-14-azaspiro[bicyclo[9.5.1]heptadecane-4,2'-oxiran]-11-en-7-yl acetate

C21H29NO8 (423.1893074)


   

(1r,4ar,6r,8as)-6-isopropyl-8a-methyl-4-methylidene-hexahydro-1h-naphthalene-1,4a-diol

(1r,4ar,6r,8as)-6-isopropyl-8a-methyl-4-methylidene-hexahydro-1h-naphthalene-1,4a-diol

C15H26O2 (238.1932696)