Summary

IMPPAT Phytochemical identifier: IMPHY001944

Phytochemical name: Glychionide A

Synonymous chemical names:
glychionide a

External chemical identifiers:
CID:11597485, ZINC:ZINC000008952594, FDASRS:58792ZUT0H, MolPort-002-526-364

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Chemical structure information

SMILES:
OC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2O)oc(cc3=O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C21H18O11/c22-9-6-11(8-4-2-1-3-5-8)30-18-13(9)10(23)7-12(14(18)24)31-21-17(27)15(25)16(26)19(32-21)20(28)29/h1-7,15-17,19,21,23-27H,(H,28,29)/t15-,16-,17+,19-,21+/m0/s1

InChIKey:
MOFOLNOWFPVLGZ-BHWDSYMASA-N

DeepSMILES:
OC=O)[C@H]O[C@@H]OcccO)ccc6O))occc6=O)))cccccc6))))))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CC(=O)O, CO, c=O, cO, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.875

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Chemical structure download