Summary

IMPPAT Phytochemical identifier: IMPHY006015

Phytochemical name: Naringenin-7-rhamnoglucoside

Synonymous chemical names:
naringenin-7-rhamnoglucoside

External chemical identifiers:
CID:76315298, ChEMBL:CHEMBL2236811

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)OC(CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](CO)[C@@H]([C@H]([C@H]1O)O)O

InChI:
InChI=1S/C27H32O15/c28-8-17-20(33)22(35)24(37)26(40-17)42-25-23(36)21(34)18(9-29)41-27(25)38-12-5-13(31)19-14(32)7-15(39-16(19)6-12)10-1-3-11(30)4-2-10/h1-6,15,17-18,20-31,33-37H,7-9H2/t15?,17-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1

InChIKey:
APDPBDRBSVLAAQ-OAEQQVNASA-N

DeepSMILES:
OC[C@H]O[C@@H]OcccO)ccc6)OCCC6=O)))cccccc6))O)))))))))))))[C@@H][C@H][C@@H]6O))O))O[C@@H]O[C@@H]CO))[C@@H][C@H][C@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2cc(OC3OCCCC3OC3CCCCO3)ccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3OCCCC3OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3CC3CCCCC3)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: Flavanones

NP-Likeness score: 1.921

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Chemical structure download