Summary

IMPPAT Phytochemical identifier: IMPHY016208

Phytochemical name: 15-Copaenol

Synonymous chemical names:
15-copaenol

External chemical identifiers:
CID:91751356

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Chemical structure information

SMILES:
OC[C@@]12CCC(C3C1CC=C(C23)C)C(C)C

InChI:
InChI=1S/C15H24O/c1-9(2)11-6-7-15(8-16)12-5-4-10(3)14(15)13(11)12/h4,9,11-14,16H,5-8H2,1-3H3/t11?,12?,13?,14?,15-/m0/s1

InChIKey:
FJQZXWCSOKYVLO-MWHZVNNOSA-N

DeepSMILES:
OC[C@@]CCCCC6CC=CC%106)C))))))CC)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: 2.938

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Chemical structure download