79664-61-2
AlkaPlorer ID: AK009823
Synonym: None
IUPAC Name: [(1S,2R,10R,13S,14R)-14-ethoxy-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](OCC)[C@H](CN31)N4C)C(=O)C(C)=C(OC)C2=O
InChI: InChI=1S/C32H38N2O9/c1-9-14(3)32(39)43-13-20-21-17(25(35)15(4)29(40-7)27(21)37)11-18-24-22-23(26(36)16(5)30(41-8)28(22)38)31(42-10-2)19(33(24)6)12-34(18)20/h9,18-20,24,31H,10-13H2,1-8H3/b14-9-/t18-,19+,20+,24-,31+/m1/s1
InChIKey: HBULEGBKIIJRCH-DCKVXSPRSA-N
Reference
Antimicrobial metabolites of the sponge Reniera sp
PubChem CID: 101588324
LOTUS: LTS0064100
SuperNatural Ⅲ: SN0121312-04
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: 594.6610000000003
TPSA？: 128.75000000000003
MolLogP？: 1.7776000000000007
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|