Summary

IMPPAT Phytochemical identifier: IMPHY005002

Phytochemical name: Furanoeremophilane

Synonymous chemical names:
furanoeremophilane

External chemical identifiers:
CID:5317426, SureChEMBL:SCHEMBL12652901

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Chemical structure information

SMILES:
Cc1coc2c1CC1(C)C(C)CCCC1C2

InChI:
InChI=1S/C15H22O/c1-10-9-16-14-7-12-6-4-5-11(2)15(12,3)8-13(10)14/h9,11-12H,4-8H2,1-3H3

InChIKey:
LCYZOSVRKHROOX-UHFFFAOYSA-N

DeepSMILES:
Cccocc5CCC)CC)CCCC6C%10

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(o1)CC1CCCCC1C2

Scaffold Graph/Node level:
C1CCC2CC3OCCC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCC3CC2C1

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 2.429

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Chemical structure download