Summary

IMPPAT Phytochemical identifier: IMPHY003972

Phytochemical name: Polydine

Synonymous chemical names:
polydin, polydine

External chemical identifiers:
CID:44257084

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Chemical structure information

SMILES:
O[C@H]1Cc2c(O[C@@H]1c1ccc(c(c1)O)O)cc(cc2O)O[C@@H]1OC[C@@H]([C@@H](C1O)O)O

InChI:
InChI=1S/C20H22O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-5,14-15,17-27H,6-7H2/t14-,15-,17-,18?,19+,20-/m0/s1

InChIKey:
UQKKDJWFQBNZBJ-IOSWLDEWSA-N

DeepSMILES:
O[C@H]CccO[C@@H]6cccccc6)O))O)))))))cccc6O)))O[C@@H]OC[C@@H][C@@H]C6O))O))O

Functional groups:
CO, cO, cOC, cO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccc(OC4CCCCO4)cc3O2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCC(OC4CCCCO4)CC3O2)CC1

Scaffold Graph level:
C1CCC(CC2CCC3CCC(C4CCCCC4)CC3C2)CC1

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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: Flavan-3-ols

NP-Likeness score: 2.234

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Chemical structure download