Summary

IMPPAT Phytochemical identifier: IMPHY005740

Phytochemical name: Albanin E

Synonymous chemical names:
albanin e

External chemical identifiers:
CID:21591197, ChEBI:175385

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Chemical structure information

SMILES:
C/C(=CCc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1O)O)/CCC=C(C)C

InChI:
InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-18-20(28)12-23-24(25(18)30)21(29)13-22(31-23)17-10-8-16(26)11-19(17)27/h5,7-8,10-13,26-28,30H,4,6,9H2,1-3H3/b15-7+

InChIKey:
CNACUOPDTBOMCZ-VIZOYTHASA-N

DeepSMILES:
C/C=CCccO)cccc6O))c=O)cco6)cccccc6O)))O)))))))))))))))/CCC=CC)C

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

NP-Likeness score: 2.091

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Chemical structure download