Details of the Drug

General Information of Drug (ID: DM2OZBL)

Drug Name

Howiinol A (GHM-10)

Synonyms

Howiinol A; (+)-Howiinol A; AC1O5TEF; CHEMBL1170578; D-xylo-Hept-2-enonic acid, 2,3-dideoxy-7-C-phenyl-, delta-lactone, 7-((2E)-3-phenyl-2-propenoate), (7R)-; 190848-69-2; [(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate

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)

380.4

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C22H20O6
IUPAC Name: [(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate
Canonical SMILES: C1=CC=C(C=C1)/C=C/C(=O)O[C@H](C2=CC=CC=C2)[C@H]([C@H]3[C@H](C=CC(=O)O3)O)O
InChI: InChI=1S/C22H20O6/c23-17-12-14-19(25)28-22(17)20(26)21(16-9-5-2-6-10-16)27-18(24)13-11-15-7-3-1-4-8-15/h1-14,17,20-23,26H/b13-11+/t17-,20+,21+,22+/m0/s1
InChIKey: HCJURVKKVSCZRL-VTWBULIDSA-N

Cross-matching ID

PubChem CID: 6440329
CAS Number: 190848-69-2
TTD ID: D01VDB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN ; TOP2B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Anticancer effect of Howiinol A and its mechanism of action. J Asian Nat Prod Res. 1999;2(1):1-19.