79664-62-3
AlkaPlorer ID: AK010154
Synonym: None
IUPAC Name: [(1S,2R,10R,13R,14R)-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,12,16,19-pentaoxo-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](C(=O)N31)N4C)C(=O)C(C)=C(OC)C2=O
InChI: InChI=1S/C30H32N2O10/c1-8-11(2)30(39)42-10-16-17-14(22(33)12(3)27(40-6)25(17)36)9-15-20-18-19(23(34)13(4)28(41-7)26(18)37)24(35)21(31(20)5)29(38)32(15)16/h8,15-16,20-21,24,35H,9-10H2,1-7H3/b11-8-/t15-,16+,20-,21-,24-/m1/s1
InChIKey: VHXCHPIQWWKYPI-LICAVXFESA-N
Reference
Antimicrobial metabolites of the sponge Reniera sp
PubChem CID: 101588323
LOTUS: LTS0147361
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: 580.5900000000003
TPSA？: 156.82
MolLogP？: 0.2600000000000018
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|