Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001212

Phytochemical name: Leucopelargonidin

Synonymous chemical names:
Leucopelargonidin, leucopelargonidin

External chemical identifiers:
CID:CID_3286789, SureChEMBL:SCHEMBL18196214

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Chemical structure information

SMILES:
Oc1ccc(cc1)C1Oc2cc(O)cc(c2C(C1O)O)O

InChI:
InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H

InChIKey:
FSVMLWOLZHGCQX-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))COcccO)ccc6CC%10O))O)))O

Functional groups:
cO, cOC, CO

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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: 2.217

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Chemical structure download