Microsclerodermin C; 2''-Deoxy, 1'',2''-didehydro
AlkaPlorer ID: AK306648
Synonym: Dehydromicrosclerodermin C
IUPAC Name: None
Structure
SMILES: CN1CC(=O)NC(CC2=CN(C(N)=O)C3=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/C41H48ClN9O12/c1-50-20-34(57)47-28(12-22-19-51(41(43)63)29-13-23(42)10-11-25(22)29)39(61)45-18-33(56)44-17-24(52)14-31(54)49-36(37(59)30(53)9-5-8-21-6-3-2-4-7-21)38(60)40(62)48-26-15-32(55)46-27(26)16-35(50)58/h2-8,10-11,13,19,24,26,28,30,36-38,52-53,59-60H,9,12,14-18,20H2,1H3,(H2,43,63)(H,44,56)(H,45,61)(H,47,57)(H,48,62)(H,49,54)
InChIKey: BNYLOMOYORBCHQ-UHFFFAOYSA-N
Reference
CAS: 294210-38-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella cupola | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 894.3390000000002
TPSA？: 324.17999999999995
MolLogP？: -2.378599999999987
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|