Rubrosterone

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	2823686a-d051-493b-adf8-b6893482589f
Taxonomy	Lipids and lipid-like molecules > Steroids and steroid derivatives > Androstane steroids > Androgens and derivatives
IUPAC Name	(2S,3R,5R,9R,10R,13S,14R)-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-6,17-dione
SMILES (Canonical)	CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2=O)O
SMILES (Isomeric)	C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CCC2=O)O
InChI	InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,17+,18+,19+/m0/s1
InChI Key	OMQCWEJQYPUGJG-DTDIXVHCSA-N
Popularity	2 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₉H₂₆O₅
Molecular Weight	334.40 g/mol
Exact Mass	334.17802393 g/mol
Topological Polar Surface Area (TPSA)	94.80 Å²
XlogP	-0.30

Synonyms

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19466-41-2

Rubrosteron

5.beta.-Androst-7-ene-6,17-dione, 2.beta.,3.beta.,14-trihydroxy-

Androst-7-ene-6,17-dione, 2,3,14-trihydroxy-, (2.beta.,3.beta.,5.beta.)-

Androst-7-ene-6,17-dione,2,3,14-trihydroxy-, (2b,3b,5b)-

ND477TPA7H

2,3,14-Trihydroxyandrost-7-ene-6,17-dione #

CHEMBL2087163

SCHEMBL13649197

OMQCWEJQYPUGJG-DTDIXVHCSA-N

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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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	96.69%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.26%	97.25%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	95.04%	82.69%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.66%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.63%	97.09%
CHEMBL221	P23219	Cyclooxygenase-1	91.50%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.73%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.51%	100.00%
CHEMBL2581	P07339	Cathepsin D	87.20%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.19%	85.14%
CHEMBL226	P30542	Adenosine A1 receptor	85.20%	95.93%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.95%	99.23%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	83.44%	94.78%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	83.18%	85.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.38%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.35%	95.89%

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.

Achyranthes aspera var. rubrofusca

Cyanotis arachnoidea

Pfaffia glomerata

Rhaponticum carthamoides subsp. carthamoides

Serratula tinctoria

Silene otites