(1R,2S,4S,5R,6R,8R,9R,14R,15S,18S,21R,23S)-2-hydroxy-4,8,12,23-tetramethylspiro[17,25-dioxa-19-azaheptacyclo[19.3.1.115,18.01,19.04,18.06,15.09,14]hexacos-11-ene-5,4'-oxolane]-2',7,10,26-tetrone
AlkaPlorer ID: AK136281
Synonym: None
IUPAC Name: (1R,2S,4S,5R,6R,8R,9R,14R,15S,18S,21R,23S)-2-hydroxy-4,8,12,23-tetramethylspiro[17,25-dioxa-19-azaheptacyclo[19.3.1.115,18.01,19.04,18.06,15.09,14]hexacos-11-ene-5,4'-oxolane]-2',7,10,26-tetrone
Structure
SMILES: CC1=CC(=O)[C@@H]2[C@@H](C1)[C@]13CO[C@@]4(C1=O)N1C[C@H]5C[C@H](C)C[C@@]1(O5)[C@@H](O)C[C@@]4(C)[C@]1(COC(=O)C1)[C@H]3C(=O)[C@@H]2C
InChI: InChI=1S/C30H37NO8/c1-14-6-18-22(19(32)7-14)16(3)23(35)24-27(10-21(34)37-12-27)26(4)9-20(33)29-8-15(2)5-17(39-29)11-31(29)30(26)25(36)28(18,24)13-38-30/h7,15-18,20,22,24,33H,5-6,8-13H2,1-4H3/t15-,16+,17+,18+,20-,22-,24+,26-,27+,28-,29+,30+/m0/s1
InChIKey: GTHSUDMYSPSZOQ-JTDPBRKGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zoanthus kuroshio | Zoanthus | Zoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 539.6250000000003
TPSA？: 119.44
MolLogP？: 1.7996999999999987
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Neutrophil | Inhibition | 13.0 | % | 10.1021/acs.jnatprod.6b00625 |
| None | Neutrophil | Inhibition | 15.0 | % | 10.1021/acs.jnatprod.6b00625 |