Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006653

Phytochemical name: beta-Copaene-4alpha-ol

Synonymous chemical names:
β-copaene-4α-ol, beta-Copaene-4alpha-ol, β-copaene-4- α-ol

External chemical identifiers:
CID:CID_163184079

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Chemical structure information

SMILES:
CC([C@H]1CC[C@@]2([C@@H]3[C@H]1[C@H]2C(=C)[C@@H](C3)O)C)C

InChI:
InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)11-7-12(16)9(3)14(15)13(10)11/h8,10-14,16H,3,5-7H2,1-2,4H3/t10?,11-,12+,13-,14+,15+/m0/s1

InChIKey:
LPXOPRGPLUWGKB-JKMBVOABSA-N

DeepSMILES:
CC[C@H]CC[C@@][C@@H][C@H]6[C@H]4C=C)[C@@H]C6)O))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C3CCCC2C13

Scaffold Graph/Node level:
CC1CCC2C3CCCC2C13

Scaffold Graph level:
CC1CCC2C3CCCC2C13

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Chemical classification

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Copaane sesquiterpenoids

NP-Likeness score: 3.47

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Chemical structure download