Stereocalpin A
AlkaPlorer ID: AK049344
Synonym: None
IUPAC Name: (3S,6S,9R,11S,12S)-3,6-dibenzyl-4,9,11-trimethyl-12-propyl-1-oxa-4,7-diazacyclododecane-2,5,8,10-tetrone
Structure
SMILES: CCC[C@@H]1OC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](C)C(=O)[C@H]1C
InChI: InChI=1S/C29H36N2O5/c1-5-12-25-19(2)26(32)20(3)27(33)30-23(17-21-13-8-6-9-14-21)28(34)31(4)24(29(35)36-25)18-22-15-10-7-11-16-22/h6-11,13-16,19-20,23-25H,5,12,17-18H2,1-4H3,(H,30,33)/t19-,20+,23-,24-,25-/m0/s1
InChIKey: PKKZNSZCFXCHRE-TYCVKICSSA-N
Reference
Stereocalpin A, a bioactive cyclic depsipeptide from the Antarctic lichen Stereocaulon alpinum
PubChem CID: 24777590
LOTUS: LTS0151819
NPASS: NPC263185
{NPAtlas: NPA003067
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stereocaulon alpinum | Stereocaulon | Stereocaulaceae | Lecanorales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
| Helleborus niger | Helleborus | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dasyscyphus nidulus | Dasyscyphus | Lachnaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 492.6160000000002
TPSA？: 96.27
MolLogP？: 4.190700000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|