Summary

IMPPAT Phytochemical identifier: IMPHY006810

Phytochemical name: Unii-830GM1N73B

Synonymous chemical names:
luteoforol

External chemical identifiers:
CID:121231123, FDASRS:830GM1N73B

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Chemical structure information

SMILES:
Oc1cc2O[C@@H](C[C@H](c2c(c1)O)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C15H14O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,12-13,16-20H,6H2/t12-,13+/m1/s1

InChIKey:
FSYDWKPCKNCRDI-OLZOCXBDSA-N

DeepSMILES:
OcccO[C@@H]C[C@H]c6cc%10)O)))O)))cccccc6)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: Flavan-3-ols

NP-Likeness score: 2.109

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Chemical structure download