Summary

IMPPAT Phytochemical identifier: IMPHY009366

Phytochemical name: Cyperenol

Synonymous chemical names:
cyperenol

External chemical identifiers:
CID:12308848, ZINC:ZINC000238779876

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Chemical structure information

SMILES:
OCC1=C2C[C@@H]3C([C@@]2(CC1)[C@H](C)CC3)(C)C

InChI:
InChI=1S/C15H24O/c1-10-4-5-12-8-13-11(9-16)6-7-15(10,13)14(12,2)3/h10,12,16H,4-9H2,1-3H3/t10-,12-,15+/m1/s1

InChIKey:
LMCIYJPGIPULLI-HCKVZZMMSA-N

DeepSMILES:
OCC=CC[C@@H]C[C@@]5CC8))[C@H]C)CC6))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CC3CCCC2(CC1)C3

Scaffold Graph/Node level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CC3CCCC3(C1)C2

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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: Patchoulane sesquiterpenoids

NP-Likeness score: 3.167

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Chemical structure download