(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(Z,25S)-26-[2-(4-hydroxyphenyl)ethylamino]-25-methoxy-11,16,26-trioxohexacos-21-enoxy]oxane-2-carboxylic acid
AlkaPlorer ID: AK148735
Synonym: None
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(Z,25S)-26-[2-(4-hydroxyphenyl)ethylamino]-25-methoxy-11,16,26-trioxohexacos-21-enoxy]oxane-2-carboxylic acid
Structure
SMILES: CO[C@@H](CC/C=C\CCCCC(=O)CCCCC(=O)CCCCCCCCCCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(O)=NCCC1=CC=C(O)C=C1
InChI: InChI=1S/C41H65NO12/c1-52-34(39(49)42-28-27-30-23-25-33(45)26-24-30)22-14-10-6-5-9-13-19-32(44)21-16-15-20-31(43)18-12-8-4-2-3-7-11-17-29-53-41-37(48)35(46)36(47)38(54-41)40(50)51/h6,10,23-26,34-38,41,45-48H,2-5,7-9,11-22,27-29H2,1H3,(H,42,49)(H,50,51)/b10-6-/t34-,35-,36-,37+,38-,41+/m0/s1
InChIKey: FWKNOWWFSJCQHN-GXKJQEETSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 763.9660000000006
TPSA？: 212.64
MolLogP？: 5.921300000000008
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cellular tumor antigen p53 | Inhibition | None | % | 10.1021/acs.jnatprod.8b00785 |
| Homo sapiens | Proto-oncogene c-JUN | Inhibition | None | % | 10.1021/acs.jnatprod.8b00785 |
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.8b00785 |