Summary

IMPPAT Phytochemical identifier: IMPHY000698

Phytochemical name: 2alpha,6alpha-Epoxyhimachalane-3beta-ol

Synonymous chemical names:
epoxyhimachalene

External chemical identifiers:
CID:100936704

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Chemical structure information

SMILES:
C[C@H]1CCCC(C2[C@]31CC[C@]([C@H]2O3)(C)O)(C)C

InChI:
InChI=1S/C15H26O2/c1-10-6-5-7-13(2,3)11-12-14(4,16)8-9-15(10,11)17-12/h10-12,16H,5-9H2,1-4H3/t10-,11?,12-,14-,15+/m0/s1

InChIKey:
ASXSVCYEAPHTSV-FWPZYLILSA-N

DeepSMILES:
C[C@H]CCCCC[C@@]7CC[C@][C@H]6O6))C)O))))))C)C

Functional groups:
CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3CCCC2(CC1)O3

Scaffold Graph/Node level:
C1CCC2C3CCCC2(CC1)O3

Scaffold Graph level:
C1CCC2C3CCCC2(CC1)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Himachalane sesquiterpenoids

NP-Likeness score: 2.885

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Chemical structure download