Summary

IMPPAT Phytochemical identifier: IMPHY017116

Phytochemical name: Isobazzanene

Synonymous chemical names:
isobazzanene

External chemical identifiers:
CID:14830703, ZINC:ZINC000062237763

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Chemical structure information

SMILES:
CC1=CC[C@](CC1)(C)C1=CCCC1(C)C

InChI:
InChI=1S/C15H24/c1-12-7-10-15(4,11-8-12)13-6-5-9-14(13,2)3/h6-7H,5,8-11H2,1-4H3/t15-/m0/s1

InChIKey:
WUOZOSFJWTXTKG-HNNXBMFYSA-N

DeepSMILES:
CC=CC[C@]CC6))C)C=CCCC5C)C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC(C2=CCCC2)CC1

Scaffold Graph/Node level:
C1CCC(C2CCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCC2)CC1

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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: Cuparane sesquiterpenoids

NP-Likeness score: 2.651

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Chemical structure download