Halichondramide; 22S-Hydroxy
AlkaPlorer ID: AK054027
Synonym: Jaspisamide B
IUPAC Name: N-[11-(16,22-dihydroxy-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-5,9-dimethyl-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=CCC(O)C1C)C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC
InChI: InChI=1S/C44H60N4O13/c1-26(17-18-36(53)27(2)37(55-6)15-11-19-48(5)25-49)38(56-7)21-39-28(3)34(51)14-10-16-40-45-32(23-58-40)43-47-33(24-60-43)44-46-31(22-59-44)42(57-8)29(4)35(52)13-9-12-30(50)20-41(54)61-39/h9-11,13,16,19,22-30,34,37-39,42,50-51H,12,14-15,17-18,20-21H2,1-8H3
InChIKey: RFDARNYKMNISNP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Jaspis | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 852.9789999999999
TPSA？: 226.98999999999995
MolLogP？: 5.933900000000007
Number of H-Donors: 2
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|