Summary

IMPPAT Phytochemical identifier: IMPHY004855

Phytochemical name: Sayanedine

Synonymous chemical names:
sayanedin

External chemical identifiers:
CID:442820, ChEBI:9045

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Chemical structure information

SMILES:
COc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)OC)O

InChI:
InChI=1S/C17H14O5/c1-20-11-4-5-12-15(8-11)22-9-13(17(12)19)10-3-6-14(18)16(7-10)21-2/h3-9,18H,1-2H3

InChIKey:
JSDXTLJPMLRQOB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)occc6=O))cccccc6)OC)))O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 0.687

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Chemical structure download