Summary

IMPPAT Phytochemical identifier: IMPHY008492

Phytochemical name: Galanginin

Synonymous chemical names:
galanginin

External chemical identifiers:
CID:44258719

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Chemical structure information

SMILES:
OCC1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccccc2)C(C([C@@H]1O)O)O

InChI:
InChI=1S/C21H20O10/c22-8-13-15(25)17(27)18(28)21(30-13)31-20-16(26)14-11(24)6-10(23)7-12(14)29-19(20)9-4-2-1-3-5-9/h1-7,13,15,17-18,21-25,27-28H,8H2/t13?,15-,17?,18?,21+/m1/s1

InChIKey:
BBPVLQOHFINNBJ-XRQIAXDESA-N

DeepSMILES:
OCCO[C@@H]Occoccc6=O))cO)ccc6)O)))))))cccccc6)))))))))CC[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=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: 2.014

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Chemical structure download