Summary

IMPPAT Phytochemical identifier: IMPHY016670

Phytochemical name: Glechomafuran

Synonymous chemical names:
glechomafuran

External chemical identifiers:
CID:100215, ChEMBL:CHEMBL1999338

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Chemical structure information

SMILES:
Cc1coc2c1CC1OC1(C)CCC1C(C2)(C)O1

InChI:
InChI=1S/C15H20O3/c1-9-8-16-11-7-15(3)12(17-15)4-5-14(2)13(18-14)6-10(9)11/h8,12-13H,4-7H2,1-3H3

InChIKey:
FNQFNSGVMLMZNV-UHFFFAOYSA-N

DeepSMILES:
Cccocc5CCOC3C)CCCCC%11)C)O3

Functional groups:
CC1OC1(C)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(o1)CC1OC1CCC1OC1C2

Scaffold Graph/Node level:
C1CC2CC3OC3CCC3OC3CC2O1

Scaffold Graph level:
C1CC2CC3CC3CCC3CC3CC2C1

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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: Germacrane sesquiterpenoids

NP-Likeness score: 2.723

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Chemical structure download