| Phytochemical Name : Purapuridine |
| PCNDIDP0219 |
| Pubchem CID : 442985 |
| Molecular formula: C27H43NO2 |
| Canonical SMILES : CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1 |
Synonymes : solasodine|126-17-0|Purapuridine|Solancarpidine|Solasodin|Solanidine-S|Spirosol-5-en-3-ol, (3beta,22alpha,25R)-|CHEBI:9190|L40Y453Y96|Solasod-5-en-3beta-ol|Salasodine|Salasdine|Solanearpidine|(-)-Solasodine|Solasod-5-en-3-beta-ol|Solasod-5-en-3.beta.-ol|SR-01000814832|HSDB 3538|SOLASODINE HYDROCHLORIDE BASE|EINECS 204-774-2|Purapuridine;Solancarpidine;Solasodin|NSC178260|allylamylglycolate|NSC 178260|NSC 179187|NSC-178260|NSC-179187|BRN 0094578|SOLASADINE|SOLASODINE [MI]|Prestwick3_000663|Spirosol-5-en-3-ol, (3.beta.,22.alpha.,25R)-|delta5-20Betaf,22alphaf,25alphaf,27-azaspirosten-3beta-ol|SOLASODINE [WHO-DD]|BSPBio_000725|MLS001164064|SCHEMBL456185|BPBio1_000799|CHEMBL518252|UNII-L40Y453Y96|DTXSID101030558|HMS2097E07|HMS2862C06|HY-N0068|MFCD00037844|AKOS015969707|CS-1651|NCGC00179461-01|(25R)-22alpha-spirosol-5-en-3beta-ol|SMR000539436|(3beta,22alpha,25R)-spirosol-5-en-3-ol|AB00513879|4-27-00-02000 (Beilstein Handbook Reference)|Q740439|SR-01000814832-3|SR-01000814832-4|(3.BETA.,22.ALPHA.,25R)-SPIROSOL-5-EN-3-OL|(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol|(2S,2'R,4aR,4bS,5'R,6aS,6bR,7S,9aS,10aS,10bS)-4a,5',6a,7-tetramethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,9a,10,10a,10b,11-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidin]-2-ol|(4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9-Tetramethyl-1,3,4,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.160 |
| Log Po/w (XLOGP3) : 5.390 |
| Log Po/w (WLOGP) : 4.910 |
| Log Po/w (MLOGP) : 4.940 |
| Log Po/w (SILICOS-IT) : 3.970 |
| Consensus Log Po/w : 4.670 |