None
AlkaPlorer ID: AK324215
Synonym: None
IUPAC Name: methyl 2-[[(1S,6R,8S,10S,13S,14R,15S,16S,17R,18R,23R)-16-hydroxy-8,13,17-trimethyl-2',19-dioxospiro[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]-21-yl]methylamino]acetate
Structure
SMILES: COC(=O)CNCC1=CC(=O)[C@@H]2[C@@H](C1)[C@]13C=C4N5C[C@H]6C[C@H](C)C[C@]5(CC[C@@]4(C)[C@]4(COC(=O)C4)[C@H]1[C@@](O)(OC3)[C@@H]2C)O6
InChI: InChI=1S/C33H44N2O8/c1-18-7-21-15-35-24-11-30-16-42-33(39,19(2)27-22(30)8-20(9-23(27)36)13-34-14-26(38)40-4)28(30)31(12-25(37)41-17-31)29(24,3)5-6-32(35,10-18)43-21/h9,11,18-19,21-22,27-28,34,39H,5-8,10,12-17H2,1-4H3/t18-,19+,21+,22+,27-,28-,29+,30+,31+,32-,33-/m0/s1
InChIKey: OZLPJYWPDAHCNE-CDDYXGONSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zoanthus vietnamensis | Zoanthus | Zoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 596.7210000000005
TPSA？: 123.63
MolLogP？: 2.3096000000000005
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 38.0 | % | 10.1021/acs.jnatprod.9b00451 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.9b00451 |
| None | Unchecked | IC50 | 68000.0 | nM | 10.1021/acs.jnatprod.9b00451 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.9b00451 |