WHC is still in active development. Read this to understand our approach.
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tripsit

ashwagandha

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Data

InChI: InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3

Synonyms: A1-06845,Ashwagandha,WITHAFERIN DERIV JPR, IOWA U. COMPOUND,NSC273757,s8587,(4.BETA.,5.BETA.,6.BETA.,22R)-4,27-DIHYDROXY-5,6:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE,Withaferin A 100 microg/mL in Acetonitrile,5beta-Ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-,C08841,Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, gamma-lactone, (4bta,5beta,6beta,22R)-,NSC 101088,NCI60_000031,NSC 273757,Ergosta-2, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,22R)-,Withaferine A,5.beta.-Ergosta-2, 5,6.beta.-epoxy-4.beta.,22,27-trihydroxy-1-oxo-, .delta.-lactone, (20S,22R)-,MFCD10687098,(4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-4-hydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one,AS-77575,NSC-101088,L6DO3QW4K5,ZINC8234189,NSC-273757,WLN: T3 F5 E666 1A R AXO OV PU CH&TTTTJ J1 N1 RQ IY1&- FT6OV CUTJ C1Q D1,CS-0018562,(6S,7R,9R)-6-Hydroxy-15-[(2R,3R)-3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one,A871350,HY-N2065,(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one,Withaferin A, analytical standard,CHEBI:69120,(4beta,5beta,6beta,22R)-4,27-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione,CHEMBL517080,BRN 1335150,MLS006010687,SCHEMBL157208,BRD-K88378636-001-01-0,Q6606395,5119-48-2,NSC101088,5-beta-Ergosta-2,24-dien-26-oic acid, 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-,(4beta,5beta,6beta,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone,5-19-06-00604 (Beilstein Handbook Reference),4beta,27-dihydroxy-1-oxo-5beta,6beta-epoxywitha-2,24-dienolide,Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-,WITHAFERIN A [MI],SMR004701668,NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione,Withaferin A,Withaferin A, >=95% (HPLC),NCGC00180796-02,UNII-L6DO3QW4K5

Market name: ashwagandha

Estimated data

Solubility: -4.868 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: No (prediction using frontiersin.org)

Addictivity Prediction: 35.6% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.