Summary

IMPPAT Phytochemical identifier: IMPHY016882

Phytochemical name: 2,9,9-Trimethyl-5-methylene-6,7,8,9-tetrahydro-5H-benzo[7]annulene

Synonymous chemical names:
α-dehydro-ar-himachalene

External chemical identifiers:
CID:15098633

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Chemical structure information

SMILES:
Cc1ccc2c(c1)C(C)(C)CCCC2=C

InChI:
InChI=1S/C15H20/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h7-8,10H,2,5-6,9H2,1,3-4H3

InChIKey:
LLYOXWSLVUQJHF-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)CC)C)CCCC7=C

Functional groups:
cC(=C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCc2ccccc21

Scaffold Graph/Node level:
CC1CCCCC2CCCCC12

Scaffold Graph level:
CC1CCCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Himachalane sesquiterpenoids

NP-Likeness score: 1.156

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Chemical structure download