Details of the Drug

General Information of Drug (ID: DM6L0KZ)

Drug Name
(2S)-euchrenone a7
Synonyms (2S)-euchrenone a7; CHEMBL457686; JJOUBYOHNYJCOU-IBGZPJMESA-N
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 340.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H20O5
IUPAC Name
(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES
CC(=CCC1=C(C=CC2=C1O[C@@H](CC2=O)C3=C(C=C(C=C3)O)O)O)C
InChI
InChI=1S/C20H20O5/c1-11(2)3-5-14-16(22)8-7-15-18(24)10-19(25-20(14)15)13-6-4-12(21)9-17(13)23/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-/m0/s1
InChIKey
JJOUBYOHNYJCOU-IBGZPJMESA-N
Cross-matching ID
PubChem CID
44593508
ChEBI ID
CHEMBL457686
TTD ID
D09OPA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Aromatase inhibitors from Broussonetia papyrifera. J Nat Prod. 2001 Oct;64(10):1286-93.