Summary

IMPPAT Phytochemical identifier: IMPHY016934

Phytochemical name: beta-Copaene-4alpha-ol

Synonymous chemical names:
β-copaene-4- α-ol, β-copaene-4α-ol

External chemical identifiers:
CID:101412242

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Chemical structure information

SMILES:
CC([C@H]1[C@H](O)CC2([C@H]3[C@@H]1[C@H]2C(=C)CC3)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/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11-,12+,13+,14-,15?/m1/s1

InChIKey:
ORAACLXPCXANOZ-LOGRNBMNSA-N

DeepSMILES:
CC[C@H][C@H]O)CC[C@H][C@@H]6[C@H]4C=C)CC6))))))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

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: 3.312

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Chemical structure download