Details of the Drug

General Information of Drug (ID: DMRP03X)

Drug Name

1,3,8-Trihydroxy-6-methyl-10H-anthracen-9-one

Synonyms

Emodin anthrone; Emodinanthrone; 491-60-1; 1,3,8-Trihydroxy-6-methylanthrone; 1,3,8-Trihydroxy-6-methyl-10H-anthracen-9-one; UNII-77C500W1A2; 2,4,5-trihydroxy-7-methylanthracen-10(9H)-one; CHEMBL122192; 77C500W1A2; 1,6,8-trihydroxy-3-methyl-10-hydroanthracen-9-one; 9(10H)-Anthracenone, 1,3,8-trihydroxy-6-methyl-; Emodinanthranol; Emodinol; Protophyscihydrone; Frangulaemodinanthrone; Frangulaemodinanthranol; Frangula emodin anthrone; AC1L3UZ6; SCHEMBL6046328; DTXSID80197684; LAJSXCAVRQXZIO-UHFFFAOYSA-N; ZINC6070245; BCP29231

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

256.25

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H12O4
IUPAC Name: 1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one
Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)O
InChI: InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3
InChIKey: LAJSXCAVRQXZIO-UHFFFAOYSA-N