Kabiramide D; 32-Demethoxy, 31,32-didehydro(E-), 3-carbamoyl
AlkaPlorer ID: AK303409
Synonym: Kabiramide G
IUPAC Name: [20-[11-[formyl(methyl)amino]-2-methoxy-3,7,9-trimethyl-6-oxoundeca-7,10-dienyl]-12-hydroxy-10,22-dimethoxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-16-yl] carbamate
Structure
SMILES: COC(CC1OC(=O)CC(OC(=N)O)CC(C)CC(O)C(C)C(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)C=CCC(OC)C1C)C(C)CCC(=O)C(C)=CC(C)C=CN(C)C=O
InChI: InChI=1S/C47H67N5O13/c1-27(16-17-52(7)26-53)18-30(4)37(54)15-14-29(3)40(59-9)22-41-32(6)39(58-8)12-11-13-42-49-35(24-61-42)45-51-36(25-63-45)46-50-34(23-62-46)44(60-10)31(5)38(55)20-28(2)19-33(64-47(48)57)21-43(56)65-41/h11,13,16-18,23-29,31-33,38-41,44,55H,12,14-15,19-22H2,1-10H3,(H2,48,57)
InChIKey: FBMVXDQBPTYEAM-UHFFFAOYSA-N
Reference
Four New Kabiramides from the Thai Sponge, Pachastrissa nux
PubChem CID: 163049289
LOTUS: LTS0112407
COCONUT: CNP0332369.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penares nux | Penares | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 910.075
TPSA？: 243.0
MolLogP？: 7.90807000000001
Number of H-Donors: 3
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|