Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008430

Phytochemical name: 2,5-Dihydroxy-4-methoxy-9H-fluoren-9-one

Synonymous chemical names:
dengibsin, 2,5-dihydroxy-4-methoxy-9-fluorenone, Dengibsin

External chemical identifiers:
CID:CID_10879298, ZINC:ZINC000014808071, SureChEMBL:SCHEMBL7792240

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Chemical structure information

SMILES:
COc1cc(O)cc2c1-c1c(O)cccc1C2=O

InChI:
InChI=1S/C14H10O4/c1-18-11-6-7(15)5-9-13(11)12-8(14(9)17)3-2-4-10(12)16/h2-6,15-16H,1H3

InChIKey:
BNLICISMBGNGFN-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6-ccO)cccc6C9=O

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

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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: 1.565

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Chemical structure download