Summary

IMPPAT Phytochemical identifier: IMPHY001652

Phytochemical name: Humulol

Synonymous chemical names:
humulol

External chemical identifiers:
CID:14093951

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Chemical structure information

SMILES:
C/C/1=CCC(C)(C)/C=C/CC(CCC1)(C)O

InChI:
InChI=1S/C15H26O/c1-13-7-5-10-15(4,16)11-6-9-14(2,3)12-8-13/h6,8-9,16H,5,7,10-12H2,1-4H3/b9-6+,13-8+

InChIKey:
ZLMAVMBYWKVCLV-IMWXLZLDSA-N

DeepSMILES:
C/C=CCCC)C)/C=C/CCCCC%11)))C)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCCCC=CCC1

Scaffold Graph/Node level:
C1CCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCC1

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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: Humulane sesquiterpenoids

NP-Likeness score: 2.838

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Chemical structure download