120314-15-0
AlkaPlorer ID: AK031737
Synonym: '120409-36-1'
IUPAC Name: (1S,4S,5R,6S,8R,9R,14R,15R,20R,22S)-4,8,12,15,22-pentamethylspiro[24-oxa-18-azahexacyclo[18.3.1.01,18.04,17.06,15.09,14]tetracosa-11,16-diene-5,4'-oxolane]-2',7,10-trione
Structure
SMILES: CC1=CC(=O)[C@@H]2[C@@H](C1)[C@]1(C)C=C3N4C[C@H]5C[C@H](C)C[C@]4(CC[C@@]3(C)[C@]3(COC(=O)C3)[C@H]1C(=O)[C@@H]2C)O5
InChI: InChI=1S/C30H39NO5/c1-16-9-20-24(21(32)10-16)18(3)25(34)26-27(20,4)12-22-28(5,29(26)13-23(33)35-15-29)6-7-30-11-17(2)8-19(36-30)14-31(22)30/h10,12,17-20,24,26H,6-9,11,13-15H2,1-5H3/t17-,18+,19+,20+,24-,26-,27-,28+,29+,30-/m0/s1
InChIKey: BFNUJRMWSIMCCC-WLHSUERSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zoanthus vietnamensis | Zoanthus | Zoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| Zoanthus kuroshio | Zoanthus | Zoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 493.6440000000004
TPSA？: 72.91
MolLogP？: 4.437100000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Neutrophil | Inhibition | 18.0 | % | 10.1021/acs.jnatprod.6b00625 |
| None | Neutrophil | Inhibition | 30.0 | % | 10.1021/acs.jnatprod.6b00625 |
| None | Unchecked | Activity | 91.0 | % | 10.1021/acs.jnatprod.9b00451 |