Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017955

Phytochemical name: Cedrenol

Synonymous chemical names:
Cedrenol

External chemical identifiers:
CID:CID_119831, FDASRS:W4QN7VCD15, SureChEMBL:SCHEMBL3504932

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Chemical structure information

SMILES:
OC1CC23CC(C1=C)C(C3CCC2C)(C)C

InChI:
InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3

InChIKey:
DJYWGTBEZVORGE-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6=C))CC5CCC8C)))))C)C

Functional groups:
CO, C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC23CCCC2CC1C3

Scaffold Graph/Node level:
CC1CCC23CCCC2CC1C3

Scaffold Graph level:
CC1CCC23CCCC2CC1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 3.169

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Chemical structure download