(-)-Petrosine A
AlkaPlorer ID: AK029828
Synonym: 'Xestosin A', '', 'meso-Petrosin A', 'Petrosin A', 'Petrosine B', 'Petrosine A', '(-)-Petrosin B', 'Petrosin B'
IUPAC Name: (1R,7S,9R,15S,21S,23R,29R,30S)-9,23-dimethyl-11,25-diazapentacyclo[19.7.1.17,11.025,29.015,30]triacontane-8,22-dione
Structure
SMILES: C[C@@H]1CN2CCC[C@H]3CCCCC[C@@H]4C(=O)[C@H](C)CN5CCC[C@H](CCCCC[C@H](C1=O)[C@@H]32)[C@@H]45
InChI: InChI=1S/C30H50N2O2/c1-21-19-31-17-9-13-23-11-6-4-8-16-26-28-24(14-10-18-32(28)20-22(2)30(26)34)12-5-3-7-15-25(27(23)31)29(21)33/h21-28H,3-20H2,1-2H3/t21-,22-,23-,24+,25+,26+,27-,28+/m1/s1
InChIKey: OCNVVYBTRKWBCO-NDCKAGBASA-N
Reference
A New Quinolizidine Alkaloid from the Papua New Guinean Sponge <i>Xestospongia exigua</i>
PubChem CID: 10790568
LOTUS: LTS0203167
SuperNatural Ⅲ: SN0261698-06
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopetrosia chaliniformis | Neopetrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 470.7420000000004
TPSA？: 40.620000000000005
MolLogP？: 5.732200000000007
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|