xestospongin C
AlkaPlorer ID: AK034470
Synonym: '88903-69-9', 'Araguspongine E', 'Araguspongin E', '88840-02-2', '123048-14-6', '123000-07-7'
IUPAC Name: (1S,8S,10R,15S,22S,29R)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane
Structure
SMILES: C1CCC[C@H]2CCCN3CC[C@H](CCCCCC[C@H]4CCCN5CC[C@H](CC1)O[C@H]45)O[C@H]23
InChI: InChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24-,25-,26-,27+,28+/m0/s1
InChIKey: PQYOPBRFUUEHRC-FZFXNXQRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopetrosia chaliniformis | Neopetrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 446.72000000000025
TPSA？: 24.94
MolLogP？: 6.335200000000008
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|