88840-01-1
AlkaPlorer ID: AK022455
Synonym: '', '(+)-Xestospongin B'
IUPAC Name: (1S,8R,10R,15R,22R,29S,32S)-32-methyl-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol
Structure
SMILES: C[C@H]1CN2CCC[C@H]3CCCCCC[C@@H]4CCN5CCC[C@@](O)(CCCCCC[C@H]1O[C@H]32)[C@@H]5O4
InChI: InChI=1S/C29H52N2O3/c1-23-22-31-19-10-13-24-12-6-2-3-7-14-25-16-21-30-20-11-18-29(32,28(30)33-25)17-9-5-4-8-15-26(23)34-27(24)31/h23-28,32H,2-22H2,1H3/t23-,24+,25+,26+,27+,28-,29-/m0/s1
InChIKey: VJEURJNEIZLTJG-DHWIROBRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopetrosia chaliniformis | Neopetrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 476.7460000000004
TPSA？: 45.17
MolLogP？: 5.696100000000007
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|