Summary

IMPPAT Phytochemical identifier: IMPHY017367

Phytochemical name: 8-Methyl-3-methylidene-5-propan-2-yl-1,2,4,7,8,8a-hexahydronaphthalen-4a-ol

Synonymous chemical names:
dehydroxy-isocalamendiol

External chemical identifiers:
CID:535379

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Chemical structure information

SMILES:
C=C1CCC2C(C1)(O)C(=CCC2C)C(C)C

InChI:
InChI=1S/C15H24O/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13,14)16/h8,10,12,14,16H,3,5-7,9H2,1-2,4H3

InChIKey:
LZJKACCRRXUWAR-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6)O)C=CCC6C))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCC=CC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 2.701

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Chemical structure download