Summary

IMPPAT Phytochemical identifier: IMPHY014076

Phytochemical name: Rheidin A

Synonymous chemical names:
reidin a

External chemical identifiers:
CID:5320957

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Chemical structure information

SMILES:
Cc1cc(O)c2c(c1)C(C1c3cccc(c3C(=O)c3c1cc(cc3O)C(=O)O)O)c1c(C2=O)c(O)cc(c1)O

InChI:
InChI=1S/C30H20O9/c1-11-5-15-23(17-9-13(31)10-21(35)27(17)29(37)25(15)19(33)6-11)22-14-3-2-4-18(32)24(14)28(36)26-16(22)7-12(30(38)39)8-20(26)34/h2-10,22-23,31-35H,1H3,(H,38,39)

InChIKey:
RRIVQXPGYSPESH-UHFFFAOYSA-N

DeepSMILES:
CcccO)ccc6)CCcccccc6C=O)cc%10cccc6O)))C=O)O))))))))O)))))))ccC6=O))cO)ccc6)O

Functional groups:
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: 0.912

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Chemical structure download