Microsclerodermin C; 2''-Deoxy, 1'',2''-didehydro, N-de(aminocarbonyl)
AlkaPlorer ID: AK306649
Synonym: Dehydromicrosclerodermin D
IUPAC Name: None
Structure
SMILES: CN1CC(=O)NC(CC2=CNC3=CC(Cl)=CC=C23)C(=O)NCC(=O)NCC(O)CC(=O)NC(C(O)C(O)CC=CC2=CC=CC=C2)C(O)C(=O)NC2CC(=O)N=C2CC1=O
InChI: InChI=1S/C40H47ClN8O11/c1-49-20-34(55)46-29(12-22-17-42-26-13-23(41)10-11-25(22)26)39(59)44-19-33(54)43-18-24(50)14-31(52)48-36(37(57)30(51)9-5-8-21-6-3-2-4-7-21)38(58)40(60)47-27-15-32(53)45-28(27)16-35(49)56/h2-8,10-11,13,17,24,27,29-30,36-38,42,50-51,57-58H,9,12,14-16,18-20H2,1H3,(H,43,54)(H,44,59)(H,46,55)(H,47,60)(H,48,52)
InChIKey: UMGUQCUQNUXBQB-UHFFFAOYSA-N
Reference
CAS: 294210-39-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella cupola | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 851.3140000000001
TPSA？: 291.95
MolLogP？: -1.7787999999999902
Number of H-Donors: 10
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|