Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002907

Phytochemical name: Occidenol

Synonymous chemical names:
occidenol

External chemical identifiers:
CID:CID_15601429

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Chemical structure information

SMILES:
CC1=COC=CC2(C1CC(CC2)C(O)(C)C)C

InChI:
InChI=1S/C15H24O2/c1-11-10-17-8-7-15(4)6-5-12(9-13(11)15)14(2,3)16/h7-8,10,12-13,16H,5-6,9H2,1-4H3

InChIKey:
MHBHVBZBPFDCSL-UHFFFAOYSA-N

DeepSMILES:
CC=COC=CCC7CCCC6))CO)C)C)))))C

Functional groups:
CC1=COC=CCC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2C=CO1

Scaffold Graph/Node level:
C1CCC2CCOCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2CC1

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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: Elemane sesquiterpenoids

NP-Likeness score: 2.754

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Chemical structure download