Summary

IMPPAT Phytochemical identifier: IMPHY001250

Phytochemical name: Furomollugin

Synonymous chemical names:
furomollugin

External chemical identifiers:
CID:10354359, ChEMBL:CHEMBL464791, ZINC:ZINC000014492390, MolPort-035-706-113

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Chemical structure information

SMILES:
COC(=O)c1c(O)c2ccccc2c2c1cco2

InChI:
InChI=1S/C14H10O4/c1-17-14(16)11-10-6-7-18-13(10)9-5-3-2-4-8(9)12(11)15/h2-7,15H,1H3

InChIKey:
AFMYCYWCHKTNNE-UHFFFAOYSA-N

DeepSMILES:
COC=O)ccO)cccccc6cc%10cco5

Functional groups:
cC(=O)OC, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)ccc1ccoc12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCOC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 0.868

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Chemical structure download