| Phytochemical Name : Deoxycholic Acid |
| PCNDIDD0077 |
| Pubchem CID : 222528 |
| Molecular formula: C24H40O4 |
| Canonical SMILES : CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C |
Synonymes : DEOXYCHOLIC ACID|83-44-3|deoxycholate|Desoxycholic acid|Cholerebic|Cholorebic|Choleic acid|Degalol|Deoxycholatic acid|Droxolan|Pyrochol|Septochol|Desoxycholsaeure|Kybella|7alpha-Deoxycholic acid|3alpha,12alpha-Dihydroxy-5beta-cholanic acid|Cholic acid, deoxy-|Dihydroxycholanoic acid|ATX-101|Deoxy cholic acid|3,12-Dihydroxycholanic acid|7-Deoxycholic acid|(3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid|5-beta-Deoxycholic acid|3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid|Desoxycholic acid [NF]|Desoxycholsaeure [German]|NSC 8797|NSC-8797|UNII-005990WHZZ|CCRIS 1627|DWJ211|HSDB 293|(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid|CHEBI:28834|DWJ-211|NSC8797|005990WHZZ|EINECS 201-478-5|ATX-101 (DEOXYCHOLIC ACID)|MFCD00003673|(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid|7.alpha.-Deoxycholic acid|3-alpha,12-alpha-Dihydroxy-5-beta-cholanoic acid|3-alpha,12-alpha-Dihydroxycholansaeure|BRN 3219882|5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy-|3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid|3.alpha.,12.alpha.-Dihydroxycholanic acid|Deoxycholic acid [USAN:INN]|ATX101|Cholan-24-oic, 3,12-dihydroxy-(3alpha,5beta,12alpha)-|DTXSID0042662|3,12-Dihydroxycholan-24-oic acid, (3alpha,5beta,12alpha)-|Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-|3-alpha,12-alpha-Dihydroxycholansaeure [German]|17-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol|4-10-00-01608 (Beilstein Handbook Reference)|l7-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol|5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-|Cholan-24-oic acid, 3,12-dihydroxy-, (3a,5b,12a)-|Cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)-|Desoxycholsaure|115349-14-9|DEOXYCHOLIC ACID (II)|DEOXYCHOLIC ACID [II]|3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholanic acid|3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholanoic acid|3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholan-24-oic acid|DEOXYCHOLIC ACID (USP-RS)|DEOXYCHOLIC ACID [USP-RS]|17.beta.-(1-Methyl-3-carboxypropyl)-etiocholane-3.alpha.,12.alpha.-diol|DEOXYCHOLIC ACID (EP IMPURITY)|DEOXYCHOLIC ACID [EP IMPURITY]|DEOXYCHOLIC ACID (USP MONOGRAPH)|DEOXYCHOLIC ACID [USP MONOGRAPH]|ATX 101|DXC|SMR000112166|URSODEOXYCHOLIC ACID IMPURITY E (EP IMPURITY)|URSODEOXYCHOLIC ACID IMPURITY E [EP IMPURITY]|Cholanoic Acid;Desoxycholic acid|Deoxycholatate|de-oxycholate|deoxy-Cholate|deoxycholic-acid|5b-Deoxycholate|3alpha|7-Deoxycholate|3alpha,12alpha-Dihydroxycholanic acid|acido desoxicolico|deoxy-Cholic acid|acide desoxycholique|acidum deoxycholicum|Kybella (TN)|5b-Deoxycholic acid|7-Desoxycholic acid|1e3v|Deoxycholic acid [INN]|Spectrum5_002007|bmse000833|D02PQB|SCHEMBL4300|Deoxycholic acid (NF/INN)|BIDD:PXR0198|GTPL610|MLS001066423|MLS001306460|DEOXYCHOLIC ACID [MI]|ATX-101, APIM Therapeutics|CHEMBL406393|DEOXYCHOLIC ACID [HSDB]|DEOXYCHOLIC ACID [INCI]|DEOXYCHOLIC ACID [USAN]|DESOXYCHOLIC ACID [FCC]|5b-Cholanic acid-3a,12a-diol|DTXCID8022662|D11AX24|DESOXYCHOLIC ACID [VANDF]|DEOXYCHOLIC ACID [WHO-DD]|HMS2270H22|HY-N0593|Deoxycholic acid, >=98% (HPLC)|(C24-H40-O4)x-|BBL013877|BDBM50375599|Deoxycholic acid, >=99.0% (T)|LMST04010040|s4689|STK801948|AKOS005622617|DEOXYCHOLIC ACID [ORANGE BOOK]|CCG-268565|CS-7613|DB03619|AS-13233|BP-13275|NCI60_041946|3-.alpha.,12-.alpha.-Dihydroxycholansaeure|Deoxycholic acid, BioXtra, >=98% (HPLC)|3alpha,12alpha-Dihydroxy-5beta-cholanoic acid|C04483|D10781|D85117|EN300-108204|Q425680|SR-01000765601|3-alpha-12-alpha-dihydroxy-5-beta-cholan-24-syre|5.beta.-Cholan-24-oic acid,12.alpha.-dihydroxy-|SR-01000765601-2|3I+/-,12I+/--Dihydroxy-5I(2)-cholansA currencyure|Z1416203075|Cholan-24-oic, 3,12-dihydroxy-(3alpha,5beta, 12alpha)-|Proliferating cell nuclear antigen (peptide, cancer), APIM|(3-alpha,5-beta,12-alpha)-3,12-Dihydroxycholan-24-oic acid|5.beta.-Cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy-|17-beta-(1-methyl-3-carboxypropyl)etiocholane-3-alpha,12-alpha-diol|3,12-Dihydroxycholan-24-oic acid, (3.alpha.,5.beta.,12.alpha.)- #|3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid (Deoxycholic Acid)|Cholan-24-oic acid,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-|Deoxycholic acid, 500 mug/mL in methanol, certified reference material|17-BETA-(1-METHYL-3-CARBOXYPROPYL)-ETIOCHOLANE-3-ALPHA, 12-ALPHA-DIOL|Cholan-24-oic acid, 3,12-dihydroxy-, (3-.alpha., 5-.beta.,12-.alpha.)-|Deoxycholic Acid (Desoxycholic Acid), United States Pharmacopeia (USP) Reference Standard|l7-.beta.-(1-Methyl-3-carboxypropyl)-etiocholane-3-.alpha.,12-.alpha.-diol|(4R)-4-((3R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid|(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.580 |
| Log Po/w (XLOGP3) : 3.190 |
| Log Po/w (WLOGP) : 2.680 |
| Log Po/w (MLOGP) : 2.650 |
| Log Po/w (SILICOS-IT) : 2.500 |
| Consensus Log Po/w : 2.720 |

