Summary

IMPPAT Phytochemical identifier: IMPHY009754

Phytochemical name: (6R)-1a-methyl-4-methylidene-6-propan-2-yl-1b,2,3,5,5a,6a-hexahydro-1H-cyclopropa[a]inden-6-ol

Synonymous chemical names:
beta-copaen-4-alpha-ol, beta-copaen-4alpha-ol, β -copaen-4-α-ol, β-copaen-4-α-ol, β-copaen-4α- ol, β-copaen-4α-ol, β-copaen4-α-ol

External chemical identifiers:
CID:6431225

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Chemical structure information

SMILES:
C=C1CCC2C(C1)[C@](O)(C(C)C)C1C2(C)C1

InChI:
InChI=1S/C15H24O/c1-9(2)15(16)12-7-10(3)5-6-11(12)14(4)8-13(14)15/h9,11-13,16H,3,5-8H2,1-2,4H3/t11?,12?,13?,14?,15-/m1/s1

InChIKey:
CHFHDTRINHGRJJ-ZPWMNFGTSA-N

DeepSMILES:
C=CCCCCC6)[C@]O)CC)C))CC5C)C3

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C(C1)CC1CC12

Scaffold Graph/Node level:
CC1CCC2C(C1)CC1CC12

Scaffold Graph level:
CC1CCC2C(C1)CC1CC12

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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: Copaane sesquiterpenoids

NP-Likeness score: 2.784

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Chemical structure download