Summary

IMPPAT Phytochemical identifier: IMPHY012750

Phytochemical name: Piscerythramine

Synonymous chemical names:
piscerythramine

External chemical identifiers:
CID:5281802, ChEBI:8251, ZINC:ZINC000000899895

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Chemical structure information

SMILES:
COc1c(N)c(O)c(c(c1CC=C(C)C)c1coc2c(c1=O)c(O)cc(c2)O)CC=C(C)C

InChI:
InChI=1S/C26H29NO6/c1-13(2)6-8-16-21(17(9-7-14(3)4)26(32-5)23(27)25(16)31)18-12-33-20-11-15(28)10-19(29)22(20)24(18)30/h6-7,10-12,28-29,31H,8-9,27H2,1-5H3

InChIKey:
FZVQFYVMVHEMPU-UHFFFAOYSA-N

DeepSMILES:
COccN)cO)ccc6CC=CC)C)))))ccoccc6=O))cO)ccc6)O))))))))))CC=CC)C

Functional groups:
CC=C(C)C, c=O, cN, 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: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.559

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Chemical structure download