Summary

IMPPAT Phytochemical identifier: IMPHY005858

Phytochemical name: Radermachol

Synonymous chemical names:
radermachol

External chemical identifiers:
CID:5486931

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Chemical structure information

SMILES:
CC(=Cc1oc2c3c1C(=O)c1ccccc1C(=O)c3c(c1c2cccc1)O)C

InChI:
InChI=1S/C24H16O4/c1-12(2)11-17-18-19-20(22(26)14-8-4-3-7-13(14)21(18)25)23(27)15-9-5-6-10-16(15)24(19)28-17/h3-11,27H,1-2H3

InChIKey:
FBPAAHMWMMZDAL-UHFFFAOYSA-N

DeepSMILES:
CC=Ccoccc5C=O)cccccc6C=O)c%11ccc%15cccc6))))))O)))))))))))))))))C

Functional groups:
cC(c)=O, cC=C(C)C, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2cc3ccccc3c3occ1c23

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CC3CCCCC3C3OCC1C23

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CC3CCCCC3C3CCC1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 0.76

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Chemical structure download