Details of the Drug | DrugMAP

General Information of Drug (ID: DM6ZTOW)

Drug Name	Alpha-dihydroaldosterone
Synonyms	5-Dihydroaldosterone; 5alpha-Dihydroaldosterone; 5Alpha-dihydroaldosterone; 6005-92-1; AC1MI1I2; 18,21-Dihydroxy-11,18-epoxypregnane-3,20-dione; DTXSID00975481
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			362.5
	Logarithm of the Partition Coefficient (xlogp)			1.7
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C21H30O5 IUPAC Name (2S,5S,6S,9R,14S,15S,16R)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-11-one Canonical SMILES CC12CCC(=O)CC1CCC3C2C4CC5(C3CCC5C(=O)CO)C(O4)O InChI WCYSTKTYJRHHAV-RXKCSFKASA-N InChIKey 1S/C21H30O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h11,13-15,17-19,22,25H,2-10H2,1H3/t11-,13+,14+,15-,17-,18-,19?,20+,21?/m1/s1
Cross-matching ID	PubChem CID 3036614 CAS Number 6005-92-1 INTEDE ID DR1957

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
UDP-glucuronosyltransferase 2B7 (UGT2B7)_{Main DME}	DEB3CV1	UD2B7_HUMAN	Substrate	[1]

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Molecular Interaction Atlas (MIA)

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References

1	Human uridine diphosphate-glucuronosyltransferase UGT2B7 conjugates mineralocorticoid and glucocorticoid metabolites. Endocrinology. 2003 Jun;144(6):2659-68.