Summary

IMPPAT Phytochemical identifier: IMPHY001481

Phytochemical name: Zeyloxanthonone

Synonymous chemical names:
zeyloxanthonone

External chemical identifiers:
CID:15172616, ZINC:ZINC000014884641

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(o2)CCC(=O)C1(CC=C(C)C)CC=C(C)C)C

InChI:
InChI=1S/C28H34O5/c1-16(2)7-8-19-20(29)15-22-24(26(19)31)27(32)25-21(33-22)9-10-23(30)28(25,13-11-17(3)4)14-12-18(5)6/h7,11-12,15,29,31H,8-10,13-14H2,1-6H3

InChIKey:
XXGBNIUVEMGORF-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))c=O)cco6)CCC=O)C6CC=CC)C))))CC=CC)C))))))))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCc2oc3ccccc3c(=O)c2C1

Scaffold Graph/Node level:
OC1CCC2OC3CCCCC3C(O)C2C1

Scaffold Graph level:
CC1CCC2CC3CCCCC3C(C)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.825

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Chemical structure download