Kabiramide D; 22-O-De-Me
AlkaPlorer ID: AK303406
Synonym: Kabiramide F
IUPAC Name: N-[4,10-dimethoxy-3,5,9-trimethyl-6-oxo-11-(12,16,22-trihydroxy-10-methoxy-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-20-yl)undec-1-enyl]-N-methylformamide
Structure
SMILES: COC(CC1OC(=O)CC(O)CC(C)CC(O)C(C)C(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)C=CCC(O)C1C)C(C)CCC(=O)C(C)C(OC)C(C)C=CN(C)C=O
InChI: InChI=1S/C46H68N4O13/c1-26-18-32(52)20-42(56)63-40(21-39(57-8)27(2)14-15-37(54)30(5)43(58-9)28(3)16-17-50(7)25-51)29(4)36(53)12-11-13-41-47-34(23-60-41)45-49-35(24-62-45)46-48-33(22-61-46)44(59-10)31(6)38(55)19-26/h11,13,16-17,22-32,36,38-40,43-44,52-53,55H,12,14-15,18-21H2,1-10H3
InChIKey: QNNVYLWPDFRFNO-UHFFFAOYSA-N
Reference
Four New Kabiramides from the Thai Sponge, Pachastrissa nux
PubChem CID: 162862209
LOTUS: LTS0009850
COCONUT: CNP0125387.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penares nux | Penares | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 885.0649999999999
TPSA？: 230.15
MolLogP？: 6.441700000000008
Number of H-Donors: 3
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|