{14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0?,?.0¹?,²?]henicosa-4(9),6,15(20),17-tetraen-10-yl}methyl (2E)-2-methylbut-2-enoate
AlkaPlorer ID: AK009496
Synonym: None
IUPAC Name: [(1S,2R,10R,13S,14R)-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)OC[C@H]1C2=C(C[C@@H]3[C@@H]4C5=C(C(=O)C(C)=C(OC)C5=O)[C@@H](O)[C@H](CN31)N4C)C(=O)C(C)=C(OC)C2=O
InChI: InChI=1S/C30H34N2O9/c1-8-12(2)30(38)41-11-18-19-15(23(33)13(3)28(39-6)26(19)36)9-16-22-20-21(24(34)14(4)29(40-7)27(20)37)25(35)17(31(22)5)10-32(16)18/h8,16-18,22,25,35H,9-11H2,1-7H3/b12-8-/t16-,17+,18+,22-,25+/m1/s1
InChIKey: FDLPLQFMIZSYLS-USZUKAPSSA-N
Reference
Antimicrobial metabolites of the sponge Reniera sp
PubChem CID: 101588325
LOTUS: LTS0159693
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 566.6070000000002
TPSA？: 139.75000000000003
MolLogP？: 0.7334000000000016
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|