Muzanzagenin

Details

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Internal ID 0bd46862-ba8f-4e8e-b100-9bc619bcc4b4
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids
IUPAC Name (2S,4S,5'R,6R,7S,8R,9S,10S,12S,13R,15S)-10,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),17-diene-6,2'-oxane]-16-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C27H38O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h6,9,14-15,18-19,21-24,29-30H,5,7-8,10-13H2,1-4H3/t14-,15+,18+,19+,21+,22+,23+,24+,25+,26-,27-/m1/s1
InChI Key QRAOBCVRMVGMTN-QWNORFRRSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C27H38O5
Molecular Weight 442.60 g/mol
Exact Mass 442.27192431 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 2.90

Synonyms

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(2S,4S,5'R,6R,7S,8R,9S,10S,12S,13R,15S)-10,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),17-diene-6,2'-oxane]-16-one
(2S,4S,5'R,6R,7S,8R,9S,10S,12S,13R,15S)-10,15-dihydroxy-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosa-1(20),17-diene-6,2'-oxane)-16-one
RefChem:926275
2beta,12alpha-dihydroxy-(25R)-spirosta-4,7-dien-3-one
197080-19-6
CHEMBL455616
SCHEMBL31314497
CHEBI:175562
DTXSID201228514
AT41649
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Muzanzagenin

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.19% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.41% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 91.78% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.72% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.13% 89.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.56% 91.11%
CHEMBL2581 P07339 Cathepsin D 89.42% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 88.87% 91.49%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 87.88% 96.38%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.10% 95.89%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 86.96% 96.77%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.26% 97.25%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.95% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.56% 95.56%
CHEMBL218 P21554 Cannabinoid CB1 receptor 83.75% 96.61%
CHEMBL226 P30542 Adenosine A1 receptor 83.42% 95.93%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 82.99% 93.04%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.94% 85.14%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.68% 92.94%
CHEMBL3922 P50579 Methionine aminopeptidase 2 82.50% 97.28%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.73% 86.33%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.28% 100.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Asparagus africanus

Cross-Links

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PubChem 10836928
NPASS NPC163314
ChEMBL CHEMBL455616
LOTUS LTS0099050
wikiData Q105226169