Summary

IMPPAT Phytochemical identifier: IMPHY015739

Phytochemical name: Himachalenol

Synonymous chemical names:
himachalenol

External chemical identifiers:
CID:91751309

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Chemical structure information

SMILES:
OCC1(C)CCCC(=C2C1C=C(C)CC2)C

InChI:
InChI=1S/C15H24O/c1-11-6-7-13-12(2)5-4-8-15(3,10-16)14(13)9-11/h9,14,16H,4-8,10H2,1-3H3

InChIKey:
WQWZZNAYNUIRFF-UHFFFAOYSA-N

DeepSMILES:
OCCC)CCCC=CC7C=CC)CC6))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC=C2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2CC1

Scaffold Graph level:
C1CCC2CCCCC2CC1

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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: 2.621

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Chemical structure download