Summary

IMPPAT Phytochemical identifier: IMPHY006334

Phytochemical name: 7-Hydroxycadalene

Synonymous chemical names:
7-hydroxycadalene

External chemical identifiers:
CID:608115, ChEMBL:CHEMBL451475, MolPort-047-585-575

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Chemical structure information

SMILES:
Cc1cc2c(ccc(c2cc1O)C)C(C)C

InChI:
InChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3

InChIKey:
RIWNMJBJRPCUBX-UHFFFAOYSA-N

DeepSMILES:
Ccccccccc6cc%10O))))C))))CC)C

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Cadinane sesquiterpenoids

NP-Likeness score: 0.869

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Chemical structure download