Summary

IMPPAT Phytochemical identifier: IMPHY006280

Phytochemical name: 2,3'-Bifuran, 2,3,4,5-tetrahydro-5-methyl-5-[(4-methyl-2-furanyl)methyl]-

Synonymous chemical names:
ipomeabisfuran

External chemical identifiers:
CID:591897

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Chemical structure information

SMILES:
Cc1coc(c1)CC1(C)CCC(O1)c1cocc1

InChI:
InChI=1S/C15H18O3/c1-11-7-13(17-9-11)8-15(2)5-3-14(18-15)12-4-6-16-10-12/h4,6-7,9-10,14H,3,5,8H2,1-2H3

InChIKey:
LMSPQIDVRZANSJ-UHFFFAOYSA-N

DeepSMILES:
Cccocc5)CCC)CCCO5)ccocc5

Functional groups:
COC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(CC2CCC(c3ccoc3)O2)c1

Scaffold Graph/Node level:
C1COC(CC2CCC(C3CCOC3)O2)C1

Scaffold Graph level:
C1CCC(CC2CCC(C3CCCC3)C2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.242

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Chemical structure download