Summary

IMPPAT Phytochemical identifier: IMPHY007503

Phytochemical name: Laggerol

Synonymous chemical names:
laggerol

External chemical identifiers:
CID:11064033

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Chemical structure information

SMILES:
CC(C(CC/C(=C1/CCC(=CC1)C)/C)O)C

InChI:
InChI=1S/C15H26O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5,11,15-16H,6-10H2,1-4H3/b14-13+

InChIKey:
XOEKQGYKSZKEDE-BUHFOSPRSA-N

DeepSMILES:
CCCCC/C=C/CCC=CC/6))C)))))/C))))O))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC=CCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: Bisabolane sesquiterpenoids

NP-Likeness score: 2.388

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Chemical structure download