Summary

IMPPAT Phytochemical identifier: IMPHY001811

Phytochemical name: Arhimachalene

Synonymous chemical names:
ar-himachalene, arhimachalene

External chemical identifiers:
CID:11458355, ZINC:ZINC000085867185

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Chemical structure information

SMILES:
Cc1ccc2c(c1)C(C)(C)CCC[C@@H]2C

InChI:
InChI=1S/C15H22/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h7-8,10,12H,5-6,9H2,1-4H3/t12-/m0/s1

InChIKey:
RIHWULAZACSXEV-LBPRGKRZSA-N

DeepSMILES:
Ccccccc6)CC)C)CCC[C@@H]7C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCCC2

Scaffold Graph/Node level:
C1CCC2CCCCC2CC1

Scaffold Graph level:
C1CCC2CCCCC2CC1

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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: 0.985

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Chemical structure download