None
AlkaPlorer ID: AK324217
Synonym: None
IUPAC Name: methyl 2-[[(1S,4S,5R,6R,8R,9R,14R,15S,18S,21R,23S,26R)-26-hydroxy-4,8,23-trimethyl-2',7,10-trioxospiro[17,25-dioxa-19-azaheptacyclo[19.3.1.115,18.01,19.04,18.06,15.09,14]hexacos-11-ene-5,4'-oxolane]-12-yl]methylamino]acetate
Structure
SMILES: COC(=O)CNCC1=CC(=O)[C@@H]2[C@@H](C1)[C@]13CO[C@@]4([C@@H]1O)N1C[C@H]5C[C@H](C)C[C@]1(CC[C@@]4(C)[C@]1(COC(=O)C1)[C@H]3C(=O)[C@@H]2C)O5
InChI: InChI=1S/C33H44N2O9/c1-17-7-20-14-35-31(10-17,44-20)6-5-29(3)30(11-23(37)42-15-30)27-26(39)18(2)25-21(32(27)16-43-33(29,35)28(32)40)8-19(9-22(25)36)12-34-13-24(38)41-4/h9,17-18,20-21,25,27-28,34,40H,5-8,10-16H2,1-4H3/t17-,18+,20+,21+,25-,27+,28+,29-,30+,31-,32-,33+/m0/s1
InChIKey: WMVSOPBNPNYKIB-ZHLYNZBVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zoanthus vietnamensis | Zoanthus | Zoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 612.7200000000004
TPSA？: 140.7
MolLogP？: 1.3634000000000013
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 76.0 | % | 10.1021/acs.jnatprod.9b00451 |