Summary

IMPPAT Phytochemical identifier: IMPHY016582

Phytochemical name: Clovenol

Synonymous chemical names:
clovenol, clovenol3

External chemical identifiers:
CID:91750143

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Chemical structure information

SMILES:
O[C@@H]1CC[C@@]23C[C@@]1(C)CCC3C(CC2)(C)C

InChI:
InChI=1S/C15H26O/c1-13(2)8-9-15-7-5-12(16)14(3,10-15)6-4-11(13)15/h11-12,16H,4-10H2,1-3H3/t11?,12-,14-,15+/m1/s1

InChIKey:
ZCECGQRKYOENSP-YBVGDJDPSA-N

DeepSMILES:
O[C@@H]CC[C@]C[C@@]6C)CCC6CCC9))C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCCC3(C1)C2

Scaffold Graph/Node level:
C1CC2CCC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CCC3CCCC3(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: Clovane sesquiterpenoids

NP-Likeness score: 3.115

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Chemical structure download