Summary

IMPPAT Phytochemical identifier: IMPHY013403

Phytochemical name: evolvuside B

Synonymous chemical names:
evolvuside b

External chemical identifiers:
CID:44257579

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Chemical structure information

SMILES:
OCC1O[C@@H](Oc2ccc3c(c2)oc(cc3=O)c2cc(O)c(c(c2)O)O)C([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-1-2-10-11(23)6-14(31-15(10)5-9)8-3-12(24)17(26)13(25)4-8/h1-6,16,18-22,24-29H,7H2/t16?,18-,19+,20?,21-/m1/s1

InChIKey:
GOOORDFPBKMNLH-NFRVFMFJSA-N

DeepSMILES:
OCCO[C@@H]Occcccc6)occc6=O)))cccO)ccc6)O))O)))))))))))))C[C@H][C@@H]6O))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)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

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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: 1.67

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Chemical structure download