Summary

IMPPAT Phytochemical identifier: IMPHY011885

Phytochemical name: Leucodelphidin

Synonymous chemical names:
(+)-leucodelphinidin, lecuodelphinidin, leuco-delphinidin, leucoanthocyanidin, leucoanthocyanidins, leucodelphinidin, leukoefdin

External chemical identifiers:
CID:440835, ChEBI:6417, FDASRS:7Y16CK877U, SureChEMBL:SCHEMBL14374974

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Chemical structure information

SMILES:
Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H]([C@H](c2c(c1)O)O)O

InChI:
InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1

InChIKey:
ZEACOKJOQLAYTD-SOUVJXGZSA-N

DeepSMILES:
OcccO[C@H]cccO)ccc6)O))O)))))[C@H][C@H]c6cc%10)O)))O))O

Functional groups:
CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccccc3O2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavandiols (Leucoanthocyanidins)

NP-Likeness score: 2.321

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Chemical structure download