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Stoloniferone O

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID ac049b01-affd-4136-b23c-00423ba8d98c
Taxonomy Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids
IUPAC Name (6R,8S,9S,10R,11R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,11-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one
SMILES (Canonical) CC(C)C(C)C=CC(C)C1CCC2C1(CC(C3C2CC(C4=CC=CC(=O)C34C)O)O)C
SMILES (Isomeric) C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2C[C@H](C4=CC=CC(=O)[C@]34C)O)O)C
InChI InChI=1S/C28H42O3/c1-16(2)17(3)10-11-18(4)20-12-13-21-19-14-23(29)22-8-7-9-25(31)28(22,6)26(19)24(30)15-27(20,21)5/h7-11,16-21,23-24,26,29-30H,12-15H2,1-6H3/b11-10+/t17-,18+,19-,20+,21-,23+,24+,26+,27+,28+/m0/s1
InChI Key CGFULCPZWJDTKE-SUXWPHJKSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C28H42O3
Molecular Weight 426.60 g/mol
Exact Mass 426.31339520 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 5.50

Synonyms

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6beta,11alpha-dihydroxy-ergosta-2,4,22E-trien-1-one
(6R,8S,9S,10R,11R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,11-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one
(6R,8S,9S,10R,11R,13R,14S,17R)-17-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-6,11-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthren-1-one
RefChem:185817
CHEBI:184661
LMST01031100

2D Structure

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2D Structure of Stoloniferone O

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.88% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.03% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.21% 85.14%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 93.63% 82.69%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.59% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.65% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.14% 94.45%
CHEMBL226 P30542 Adenosine A1 receptor 90.40% 95.93%
CHEMBL2581 P07339 Cathepsin D 90.00% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.55% 97.25%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 87.41% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.26% 99.23%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 86.24% 96.77%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.63% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.83% 97.14%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 82.95% 91.07%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.28% 95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 16733717
LOTUS LTS0049048
wikiData Q76511505