Summary

IMPPAT Phytochemical identifier: IMPHY008747

Phytochemical name: Rhynchospermin

Synonymous chemical names:
rhynchospermin

External chemical identifiers:
CID:13896029, ZINC:ZINC000014648327

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1CC=C(C)C)oc(c(c2=O)O)c1ccc(c(c1)O)OC

InChI:
InChI=1S/C22H22O7/c1-11(2)5-7-13-17(28-4)10-15(24)18-19(25)20(26)21(29-22(13)18)12-6-8-16(27-3)14(23)9-12/h5-6,8-10,23-24,26H,7H2,1-4H3

InChIKey:
KONYWOHBNGVQST-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6CC=CC)C)))))occc6=O))O))cccccc6)O))OC

Functional groups:
CC=C(C)C, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.853

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Chemical structure download