Summary

IMPPAT Phytochemical identifier: IMPHY002104

Phytochemical name: Sennidin A

Synonymous chemical names:
sennidin

External chemical identifiers:
CID:122839, ChEMBL:CHEMBL227796

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Chemical structure information

SMILES:
Oc1cccc2c1C(=O)c1c(C2C2c3cccc(c3C(=O)c3c2cc(cc3O)C(=O)O)O)cc(cc1O)C(=O)O

InChI:
InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)

InChIKey:
JPMRHWLJLNKRTJ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6C=O)ccC6Ccccccc6C=O)cc%10cccc6O)))C=O)O))))))))O))))))))cccc6O)))C=O)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: 0.696

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Chemical structure download