Details of the Drug

General Information of Drug (ID: DM5E1DC)

Drug Name

2-hydroxygarveatin E

Synonyms

2-hydroxygarveatin E

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)

356.4

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C20H20O6
IUPAC Name: 7-ethyl-2,9-dihydroxy-2,4,4,6-tetramethylanthracene-1,3,5,8-tetrone
Canonical SMILES: CCC1=C(C(=O)C2=CC3=C(C(=C2C1=O)O)C(=O)C(C(=O)C3(C)C)(C)O)C
InChI: InChI=1S/C20H20O6/c1-6-9-8(2)14(21)10-7-11-13(16(23)12(10)15(9)22)17(24)20(5,26)18(25)19(11,3)4/h7,23,26H,6H2,1-5H3
InChIKey: MEDXQZJJCUKMBX-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Indoleamine 2,3-dioxygenase inhibitors from the Northeastern Pacific Marine Hydroid Garveia annulata. J Nat Prod. 2006 Oct;69(10):1496-9.