Summary

IMPPAT Phytochemical identifier: IMPHY013314

Phytochemical name: Mulberrofuran M

Synonymous chemical names:
mulberrofurans m

External chemical identifiers:
CID:21594897

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Chemical structure information

SMILES:
Oc1ccc2c(c1)OC1(CC2c2oc3c(c2C1=O)c(cc(c3)c1oc2c(c1)ccc(c2)O)OC(=O)c1ccc(cc1O)O)C

InChI:
InChI=1S/C34H22O10/c1-34-14-22(20-6-4-19(37)13-26(20)44-34)31-30(32(34)39)29-27(42-31)9-16(24-8-15-2-3-18(36)12-25(15)41-24)10-28(29)43-33(40)21-7-5-17(35)11-23(21)38/h2-13,22,35-38H,14H2,1H3

InChIKey:
UCGIUWUATGREEP-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)OCCC6coccc5C9=O)))cccc6)coccc5)cccc6)O))))))))))OC=O)cccccc6O)))O))))))))))))))C

Functional groups:
cC(C)=O, cO, cOC, cOC(c)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(Oc1cc(-c2cc3ccccc3o2)cc2oc3c(c12)C(=O)C1CC3c2ccccc2O1)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CC(C2CC3CCCCC3O2)CC2OC3C4CC(OC5CCCCC54)C(O)C3C12)C1CCCCC1

Scaffold Graph level:
CC(CC1CC(C2CC3CCCCC3C2)CC2CC3C4CC(CC5CCCCC54)C(C)C3C12)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: 2-arylbenzofuran flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids, Isoflavonoids

NP Classifier Class: 2-arylbenzofurans, Oligomeric stibenes

NP-Likeness score: 0.935

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Chemical structure download