Summary

IMPPAT Phytochemical identifier: IMPHY016888

Phytochemical name: beta-Bazzanene

Synonymous chemical names:
β-bazzanene

External chemical identifiers:
CID:12444487, ZINC:ZINC000085574351

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Chemical structure information

SMILES:
CC1=CC[C@@](CC1)(C)[C@]1(C)CCCC1=C

InChI:
InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15-/m1/s1

InChIKey:
YFLSTROSSKYYNK-HUUCEWRRSA-N

DeepSMILES:
CC=CC[C@@]CC6))C)[C@]C)CCCC5=C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC1C1CC=CCC1

Scaffold Graph/Node level:
CC1CCCC1C1CCCCC1

Scaffold Graph level:
CC1CCCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.884

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Chemical structure download