NAV

Algestone

Identification

Generic Name
Algestone
DrugBank Accession Number
DB18000
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 346.467
Monoisotopic: 346.214409446
Chemical Formula
C21H30O4
Synonyms
  • (16.alpha.)-16,17-dihydroxypregn-4-ene-3,20-dione
  • 16.alpha.,17-dihydroxypregn-4-ene-3,20-dione
  • 16.alpha.,17-dihydroxyprogesterone
  • 4-pregnene-16.alpha.,17.alpha.-diol-3,20-dione
  • Alphasone
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3JEB53B3WT
CAS number
595-77-7
InChI Key
CXDWHYOBSJTRJU-SRWWVFQWSA-N
InChI
InChI=1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21-/m0/s1
IUPAC Name
(1S,2R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-1,2-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES
[H][C@@]12C[C@@H](O)[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

References

General References
Not Available
KEGG Compound
C06391
ChemSpider
11196
BindingDB
50474602
RxNav
595
ChEBI
763
ChEMBL
CHEMBL2311120
ZINC
ZINC000004097110
Wikipedia
Algestone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP2.33Chemaxon
pKa (Strongest Acidic)11.85Chemaxon
pKa (Strongest Basic)-3.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area74.6 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity95.47 m3·mol-1Chemaxon
Polarizability38.85 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at August 31, 2023 15:47 / Updated at September 02, 2023 00:24