Summary

IMPPAT Phytochemical identifier: IMPHY016910

Phytochemical name: Palmidin A

Synonymous chemical names:
palmidin a

External chemical identifiers:
CID:5320384, FDASRS:RF802M0XYX

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Chemical structure information

SMILES:
OCc1cc(O)c2c(c1)C(c1c(C2=O)c(O)ccc1)C1c2cc(C)cc(c2C(=O)c2c1cc(O)cc2O)O

InChI:
InChI=1S/C30H22O8/c1-12-5-16-24(18-9-14(32)10-22(36)28(18)30(38)26(16)20(34)6-12)23-15-3-2-4-19(33)25(15)29(37)27-17(23)7-13(11-31)8-21(27)35/h2-10,23-24,31-36H,11H2,1H3

InChIKey:
DJTVMANCSQLMCX-UHFFFAOYSA-N

DeepSMILES:
OCcccO)ccc6)CccC6=O))cO)ccc6))))))CcccC)ccc6C=O)cc%10ccO)cc6O)))))))))O

Functional groups:
CO, cC(c)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(C2c3ccccc3C(=O)c3ccccc32)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(C2C3CCCCC3C(O)C3CCCCC32)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C2C3CCCCC3C(C)C3CCCCC32)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.06

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Chemical structure download