Summary

IMPPAT Phytochemical identifier: IMPHY000836

Phytochemical name: 1,4,7-Trihydroxy-5-methoxyfluoren-9-one

Synonymous chemical names:
dendroflorin

External chemical identifiers:
CID:44418788, ChEMBL:CHEMBL216941

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Chemical structure information

SMILES:
COc1cc(O)cc2c1-c1c(O)ccc(c1C2=O)O

InChI:
InChI=1S/C14H10O5/c1-19-10-5-6(15)4-7-11(10)12-8(16)2-3-9(17)13(12)14(7)18/h2-5,15-17H,1H3

InChIKey:
QYZVZXXDXPZMHM-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6-ccO)cccc6C9=O)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2-c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Fluorenes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.626

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Chemical structure download