Details of the Drug

General Information of Drug (ID: DM59CR0)

• Drug Name: MONODICTYOCHROMONE B
• Synonyms: Monodictyochromone B; CHEMBL576579; CHEBI:66397; (2S,2'R)-5,5'-dihydroxy-2-[(2R,3R)-3-hydroxy-5-oxotetrahydrofuran-2-yl]-2,2',7-trimethyl-2'-[(2R,3S)-3-methyl-5-oxotetrahydrofuran-2-yl]-2,2',3,3'-tetrahydro-4H,4'H-6,6'-bichromene-4,4'-dione; Monodictyochromes B

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 566.6
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C30H30O11
  IUPAC Name: (2S)-5-hydroxy-6-[(2R)-5-hydroxy-2-methyl-2-[(2R,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-6-yl]-2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-2,7-dimethyl-3H-chromen-4-one
  Canonical SMILES: C[C@H]1CC(=O)O[C@H]1[C@]2(CC(=O)C3=C(O2)C=CC(=C3O)C4=C(C5=C(C=C4C)O[C@](CC5=O)(C)[C@H]6[C@@H](CC(=O)O6)O)O)C
  InChI: InChI=1S/C30H30O11/c1-12-7-19-24(17(33)11-30(4,41-19)28-15(31)9-21(35)39-28)26(37)22(12)14-5-6-18-23(25(14)36)16(32)10-29(3,40-18)27-13(2)8-20(34)38-27/h5-7,13,15,27-28,31,36-37H,8-11H2,1-4H3/t13-,15+,27+,28+,29+,30-/m0/s1
  InChIKey: YSURVZRGQKOUAG-QXBVHLSASA-N
• Cross-matching ID:
  PubChem CID: 25256842
  ChEBI ID: CHEBI:66397
  TTD ID: D0F8IB

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]

References

• [1] Monodictyochromes A and B, dimeric xanthone derivatives from the marine algicolous fungus Monodictys putredinis. J Nat Prod. 2008 Nov;71(11):1793-9.