Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001428

Phytochemical name: beta-Vetivenene

Synonymous chemical names:
β-vetivenene, beta-vetivenene

External chemical identifiers:
CID:CID_14475467, ZINC:ZINC000085725446

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Chemical structure information

SMILES:
CC(=C1CC=C2[C@](C1)(C)[C@H](C)CC=C2)C

InChI:
InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3/t12-,15+/m1/s1

InChIKey:
QSUQBXKPPUWLTH-DOMZBBRYSA-N

DeepSMILES:
CC=CCC=C[C@]C6)C)[C@H]C)CC=C6)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC=C2C=CCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 2.888

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Chemical structure download