Summary

IMPPAT Phytochemical identifier: IMPHY013412

Phytochemical name: Tamarixetin 3-rhamnoside

Synonymous chemical names:
tamarixetin-3-rhamnoside

External chemical identifiers:
CID:44258033

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Chemical structure information

SMILES:
COc1ccc(cc1O)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1OC(C)[C@@H](C([C@@H]1O)O)O)O

InChI:
InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-13(30-2)11(24)5-9/h3-8,16,18-19,22-26,28-29H,1-2H3/t8?,16-,18?,19-,22-/m0/s1

InChIKey:
OCCFBKKDYQITFW-BDOJHUBJSA-N

DeepSMILES:
COcccccc6O)))cocccO)ccc6c=O)c%10O[C@@H]OCC)[C@@H]C[C@@H]6O))O))O)))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCCO1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCCC1

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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: Flavonols

NP-Likeness score: 2.038

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Chemical structure download