| Phytochemical Name : Bufalin |
| PCNDIDB0143 |
| Pubchem CID : 9547215 |
| Molecular formula: C24H34O4 |
| Canonical SMILES : CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O |
Synonymes : bufalin|465-21-4|CHEBI:517248|3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide|UNII-U549S98QLW|3,14-Dihydroxy-bufa-20,22-dienolide|U549S98QLW|5-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one|3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide|NSC 89595|BRN 5141601|5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one|NSC-89595|Ch'an su|BUF|BUFALIN [MI]|5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy-|(3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide|BUFALIN [WHO-DD]|(3-beta,5-beta)-3,14-Dihydroxybufa-20,22-dienolide|5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14-DIHYDROXY-|Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)-|Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)-|SCHEMBL165666|Bufa-20,22-dienolide, 3,14-dihydroxy-, (3.beta.,5.beta.)-|CHEMBL399680|Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-|DTXSID90873563|AMY40632|Bufalin: Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-,|HY-N0877|BDBM50584761|HSCI1_000110|LMST01130001|s7821|AKOS015965454|CS-3694|SMP2_000290|AC-20197|AC-34068|BS-17080|C16922|BRD-K63606607-001-01-8|BRD-K63606607-001-02-6|Q18379323 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.360 |
| Log Po/w (XLOGP3) : 3.200 |
| Log Po/w (WLOGP) : 4.240 |
| Log Po/w (MLOGP) : 3.580 |
| Log Po/w (SILICOS-IT) : 3.990 |
| Consensus Log Po/w : 3.680 |