Summary

IMPPAT Phytochemical identifier: IMPHY016890

Phytochemical name: beta-HIMACHALENOXIDE

Synonymous chemical names:
β-himachalene oxide

External chemical identifiers:
CID:573697

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Chemical structure information

SMILES:
CC1=C2CCC3(C(C2C(CCC1)(C)C)O3)C

InChI:
InChI=1S/C15H24O/c1-10-6-5-8-14(2,3)12-11(10)7-9-15(4)13(12)16-15/h12-13H,5-9H2,1-4H3

InChIKey:
GUMYGCGJGNRHGS-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCC6CCCC%11)))C)C)))O3))C

Functional groups:
CC(C)=C(C)C, CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCC3OC3C2CCCC1

Scaffold Graph/Node level:
C1CCC2CCC3OC3C2CC1

Scaffold Graph level:
C1CCC2CCC3CC3C2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Himachalane sesquiterpenoids

NP-Likeness score: 2.91

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Chemical structure download