Summary

IMPPAT Phytochemical identifier: IMPHY004451

Phytochemical name: Sennidin C

Synonymous chemical names:
sennidin c

External chemical identifiers:
CID:5321255, FDASRS:XZ21W15V3Z

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Chemical structure information

SMILES:
OCc1cc(O)c2c(c1)C(c1c(C2=O)c(O)ccc1)C1c2cccc(c2C(=O)c2c1cc(cc2O)C(=O)O)O

InChI:
InChI=1S/C30H20O9/c31-11-12-7-16-22(14-3-1-5-18(32)24(14)28(36)26(16)20(34)8-12)23-15-4-2-6-19(33)25(15)29(37)27-17(23)9-13(30(38)39)10-21(27)35/h1-10,22-23,31-35H,11H2,(H,38,39)

InChIKey:
PXSKWUOTHDALDG-UHFFFAOYSA-N

DeepSMILES:
OCcccO)ccc6)CccC6=O))cO)ccc6))))))Ccccccc6C=O)cc%10cccc6O)))C=O)O))))))))O

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

ClassyFire Subclass: Anthracenecarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 0.922

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Chemical structure download