Summary

IMPPAT Phytochemical identifier: IMPHY016881

Phytochemical name: 8alpha-3-Copaen-8-ol

Synonymous chemical names:
α-copaen-8-ol

External chemical identifiers:
CID:577203, SureChEMBL:SCHEMBL13627132

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Chemical structure information

SMILES:
CC(C1C(O)CC2(C3C1C2C(=CC3)C)C)C

InChI:
InChI=1S/C15H24O/c1-8(2)12-11(16)7-15(4)10-6-5-9(3)14(15)13(10)12/h5,8,10-14,16H,6-7H2,1-4H3

InChIKey:
BVCNHEVITXGCEP-UHFFFAOYSA-N

DeepSMILES:
CCCCO)CCCC6C4C=CC6))C)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CCCC2C3C1

Scaffold Graph/Node level:
C1CC2C3CCCC2C3C1

Scaffold Graph level:
C1CC2C3CCCC2C3C1

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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: 3.265

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Chemical structure download