Summary

IMPPAT Phytochemical identifier: IMPHY010344

Phytochemical name: (4S)-4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-1-ol

Synonymous chemical names:
isoneomatatabiol

External chemical identifiers:
CID:5318609

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Chemical structure information

SMILES:
C[C@@H]1COC(C2C1CCC2C)O

InChI:
InChI=1S/C10H18O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-11H,3-5H2,1-2H3/t6?,7-,8?,9?,10?/m1/s1

InChIKey:
DUQRVHURUWMFMN-ZKMBLSCDSA-N

DeepSMILES:
C[C@@H]COCCC6CCC5C))))))O

Functional groups:
COC(C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCOCC2C1

Scaffold Graph/Node level:
C1CC2CCOCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 3.051

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Chemical structure download