179730-36-0
AlkaPlorer ID: AK026768
Synonym: '(-)-Zampanolide', 'Zampanolide'
IUPAC Name: (2E,4Z)-N-[(S)-[(1S,2E,5S,8E,10Z,14E,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10,14-tetraen-5-yl]-hydroxymethyl]hexa-2,4-dienamide
Structure
SMILES: C=C1C[C@@H]2C/C=C/C(=O)C/C(C)=C\C=C\C(=O)O[C@H]([C@H](O)N=C(O)/C=C/C=C\C)C/C(C)=C/[C@H](C1)O2
InChI: InChI=1S/C29H37NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-11,13-14,18,24-26,29,34H,3,12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5-,11-9+,13-7+,14-8+,20-10-,22-18+/t24-,25-,26-,29-/m0/s1
InChIKey: NJZJMJVVSZTAGX-WKELUWCHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cacospongia mycofijiensis | Cacospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 495.6160000000002
TPSA？: 105.42000000000002
MolLogP？: 5.167200000000005
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | Activity | 19.0 | % | 10.1021/acs.jnatprod.8b00641 |
| Homo sapiens | HL-60 | Activity | 26.0 | % | 10.1021/acs.jnatprod.8b00641 |
| Homo sapiens | HL-60 | Activity | 55.0 | % | 10.1021/acs.jnatprod.8b00641 |
| Homo sapiens | HL-60 | IC50 | 5.3 | nM | 10.1021/acs.jnatprod.8b00641 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.8b00641 |