Summary

IMPPAT Phytochemical identifier: IMPHY004764

Phytochemical name: Scutellarein 6-xyloside

Synonymous chemical names:
6-o-beta-d-xylopyranoside-4,5,6,7-tetrahydroxyflavone

External chemical identifiers:
CID:44258420

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O[C@@H]1OC[C@H]([C@@H](C1O)O)O)O

InChI:
InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)13-5-10(22)15-14(29-13)6-11(23)19(17(15)26)30-20-18(27)16(25)12(24)7-28-20/h1-6,12,16,18,20-21,23-27H,7H2/t12-,16+,18?,20+/m1/s1

InChIKey:
SMAOYVRZZNEFSX-GBZRXNQRSA-N

DeepSMILES:
Occcccc6))ccc=O)cco6)cccc6O))O[C@@H]OC[C@H][C@@H]C6O))O))O)))))))O

Functional groups:
CO, c=O, cO, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccc(OC3CCCCO3)cc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCC(OC3CCCCO3)CC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCC(CC3CCCCC3)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: 1.923

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Chemical structure download