Halichondramide; 33R-Methyl
AlkaPlorer ID: AK054039
Synonym: Jaspisamide C
IUPAC Name: N-[11-(16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4,10-dimethoxy-3,5,9-trimethyl-6-oxoundec-1-enyl]-N-methylformamide
Structure
SMILES: COC(CC1OC(=O)CC(O)CC=CC(=O)C(C)C(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)C=CCCC1C)C(C)CCC(=O)C(C)C(OC)C(C)C=CN(C)C=O
InChI: InChI=1S/C45H62N4O12/c1-27-13-10-11-16-40-46-34(24-58-40)44-48-35(25-60-44)45-47-33(23-59-45)43(57-9)31(5)36(52)15-12-14-32(51)21-41(54)61-39(27)22-38(55-7)28(2)17-18-37(53)30(4)42(56-8)29(3)19-20-49(6)26-50/h11-12,15-16,19-20,23-32,38-39,42-43,51H,10,13-14,17-18,21-22H2,1-9H3
InChIKey: XGTLKZLKDQCQIQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Jaspis | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 851.0069999999998
TPSA？: 206.76
MolLogP？: 7.209100000000009
Number of H-Donors: 1
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|