Summary

IMPPAT Phytochemical identifier: IMPHY004770

Phytochemical name: Artonin P

Synonymous chemical names:
artonin p

External chemical identifiers:
CID:44258658

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Chemical structure information

SMILES:
CC(=C)C1Cc2c(=O)c3c(O)cc4c(c3oc2C23C1(O2)C(=O)C(=CC3=O)O)C=CC(O4)(C)C

InChI:
InChI=1S/C25H20O8/c1-10(2)13-7-12-19(29)18-14(26)8-16-11(5-6-23(3,4)32-16)20(18)31-22(12)25-17(28)9-15(27)21(30)24(13,25)33-25/h5-6,8-9,13,26-27H,1,7H2,2-4H3

InChIKey:
OKKNFQLWCBMTDX-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCcc=O)ccO)cccc6oc%10CC%14O3)C=O)C=CC6=O)))O))))))))C=CCO6)C)C

Functional groups:
C=C(C)C, c=O, cC12OC1(C)C(=O)C(O)=CC2=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)C23OC12CCc1c3oc2c3c(ccc2c1=O)OCC=C3

Scaffold Graph/Node level:
OC1C2CCC3OCCCC3C2OC2C1CCC13OC21C(O)CCC3O

Scaffold Graph level:
CC1C2CCC3CCCCC3C2CC2C1CCC13CC21C(C)CCC3C

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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: Polyketides

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.814

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Chemical structure download