Summary

IMPPAT Phytochemical identifier: IMPHY008624

Phytochemical name: Lycopersiconol

Synonymous chemical names:
lycopersiconol

External chemical identifiers:
CID:4097385

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Chemical structure information

SMILES:
OC1CCC2(C(C1)CCC1C2CCC2(C1CC(C2C(=O)C)O)C)C

InChI:
InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3

InChIKey:
FGDFFHLIMDMCJI-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6)CCCC6CCCC6CCC5C=O)C)))O))))C)))))))))C

Functional groups:
CC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Pregnane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Pregnane steroids

NP-Likeness score: 2.138

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Chemical structure download