None
AlkaPlorer ID: AK324216
Synonym: None
IUPAC Name: (1S,6R,8S,10S,13S,14R,15S,16S,17R,18R,23R)-16-hydroxy-21-(hydroxymethyl)-8,13,17-trimethylspiro[25,26-dioxa-4-azaheptacyclo[14.7.2.16,10.01,15.03,13.04,10.018,23]hexacosa-2,20-diene-14,4'-oxolane]-2',19-dione
Structure
SMILES: C[C@H]1C[C@@H]2CN3C4=C[C@@]56CO[C@@](O)([C@H](C)[C@@H]7C(=O)C=C(CO)C[C@H]75)[C@@H]6[C@@]5(COC(=O)C5)[C@]4(C)CC[C@@]3(C1)O2
InChI: InChI=1S/C30H39NO7/c1-16-6-19-12-31-22-10-27-14-37-30(35,17(2)24-20(27)7-18(13-32)8-21(24)33)25(27)28(11-23(34)36-15-28)26(22,3)4-5-29(31,9-16)38-19/h8,10,16-17,19-20,24-25,32,35H,4-7,9,11-15H2,1-3H3/t16-,17+,19+,20+,24-,25-,26+,27+,28+,29-,30-/m0/s1
InChIKey: BDQKAFXUMWYOTP-AJIWSTCMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zoanthus vietnamensis | Zoanthus | Zoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 525.6420000000005
TPSA？: 105.53000000000002
MolLogP？: 2.539300000000001
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 60.0 | % | 10.1021/acs.jnatprod.9b00451 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.9b00451 |
| None | Unchecked | IC50 | 99000.0 | nM | 10.1021/acs.jnatprod.9b00451 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.9b00451 |