Melonoside A
AlkaPlorer ID: AK135324
Synonym: None
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(7Z,23Z,27S)-28-[2-(4-hydroxyphenyl)ethylamino]-27-methoxy-11,18,28-trioxooctacosa-7,23-dienoxy]oxane-2-carboxylic acid
Structure
SMILES: CO[C@@H](CC/C=C\CCCCC(=O)CCCCCCC(=O)CC/C=C\CCCCCCO[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/C43H67NO12/c1-54-36(41(51)44-30-29-32-25-27-35(47)28-26-32)24-18-10-6-5-9-15-21-34(46)23-17-12-11-16-22-33(45)20-14-8-4-2-3-7-13-19-31-55-43-39(50)37(48)38(49)40(56-43)42(52)53/h4,6,8,10,25-28,36-40,43,47-50H,2-3,5,7,9,11-24,29-31H2,1H3,(H,44,51)(H,52,53)/b8-4-,10-6-/t36-,37-,38-,39+,40-,43+/m0/s1
InChIKey: TXGCZMCVMPFOAS-JKBBUWHFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 790.0040000000006
TPSA？: 212.64
MolLogP？: 6.47750000000001
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 |