Summary
IMPPAT Phytochemical identifier: IMPHY006336
Phytochemical name: Phlorizin
Synonymous chemical names:phlorhizin, phloridizin, phloridzin, phlorizin
External chemical identifiers:CID:6072, ChEMBL:CHEMBL245067, ChEBI:8113, ZINC:ZINC000003875408, FDASRS:CU9S17279X, SureChEMBL:SCHEMBL17290, MolPort-002-525-341
Chemical structure information
SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)OInChI:
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1InChIKey:
IOUVKUPGCMBWBT-QNDFHXLGSA-NDeepSMILES:
OC[C@H]O[C@@H]OcccO)ccc6C=O)CCcccccc6))O)))))))))O)))))))[C@@H][C@H][C@@H]6O))O))OFunctional groups:
CO, cC(C)=O, cO, cO[C@@H](C)OC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C(CCc1ccccc1)c1ccccc1OC1CCCCO1Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1OC1CCCCO1Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1CC1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Flavonoid glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Chalcones
NP-Likeness score: 1.802
Chemical structure download