Summary

IMPPAT Phytochemical identifier: IMPHY008561

Phytochemical name: Flemiphyllin

Synonymous chemical names:
flemiphyllin

External chemical identifiers:
CID:44257286

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Chemical structure information

SMILES:
CC(=CCc1cc(cc(c1O)CC=C(C)C)c1coc2c(c1=O)c(O)cc(c2CC=C(C)C)O)C

InChI:
InChI=1S/C30H34O5/c1-17(2)7-10-20-13-22(14-21(28(20)33)11-8-18(3)4)24-16-35-30-23(12-9-19(5)6)25(31)15-26(32)27(30)29(24)34/h7-9,13-16,31-33H,10-12H2,1-6H3

InChIKey:
FKQMIMOLIFCHFV-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccccc6O))CC=CC)C))))))ccoccc6=O))cO)ccc6CC=CC)C)))))O))))))))))))))C

Functional groups:
CC=C(C)C, c=O, cO, 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: 1.552

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Chemical structure download