Summary

IMPPAT Phytochemical identifier: IMPHY004773

Phytochemical name: Torosaflavone A

Synonymous chemical names:
torosaflavone a

External chemical identifiers:
CID:44257658, ChEBI:168362

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)[C@H]1C[C@@H](O)[C@H](C(O1)C)O)O

InChI:
InChI=1S/C21H20O8/c1-9-20(26)14(25)8-16(28-9)18-13(24)7-17-19(21(18)27)12(23)6-15(29-17)10-2-4-11(22)5-3-10/h2-7,9,14,16,20,22,24-27H,8H2,1H3/t9?,14-,16-,20+/m1/s1

InChIKey:
NORMTIXLPBZOKX-FYNQTZHUSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cccc6O))[C@H]C[C@@H]O)[C@H]CO6)C))O))))))O

Functional groups:
CO, COC, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccc(C3CCCCO3)cc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCC(C3CCCCO3)CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCC(C3CCCCC3)CC12

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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: Flavones

NP-Likeness score: 2.11

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Chemical structure download