Summary

IMPPAT Phytochemical identifier: IMPHY001254

Phytochemical name: Physcionin

Synonymous chemical names:
physcionin

External chemical identifiers:
CID:4484071

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Chemical structure information

SMILES:
OCC1OC(Oc2cc(OC)cc3c2C(=O)c2c(C3=O)cc(cc2O)C)C(C(C1O)O)O

InChI:
InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3

InChIKey:
POMKXWCJRHNLRP-UHFFFAOYSA-N

DeepSMILES:
OCCOCOcccOC))ccc6C=O)ccC6=O))cccc6O)))C)))))))))))))CCC6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2c(OC3CCCCO3)cccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2C(OC3CCCCO3)CCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2C(CC3CCCCC3)CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.803

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Chemical structure download