None
AlkaPlorer ID: AK324821
Synonym: None
IUPAC Name: N-[(E,3R,4R,5R,9S,10S)-11-[(10S,11R,13E,16S,20S,21R,22S,24E)-16-hydroxy-22-methoxy-10,11,21-trimethyl-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: CO[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](C)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)/C=C/C[C@H](OC)[C@H]1C)OC
InChI: InChI=1S/C46H64N4O12/c1-27(17-18-38(54)31(5)44(58-10)28(2)19-20-50(7)26-51)40(57-9)22-41-32(6)39(56-8)15-12-16-42-47-35(24-59-42)45-49-36(25-61-45)46-48-34(23-60-46)29(3)30(4)37(53)14-11-13-33(52)21-43(55)62-41/h11-12,14,16,19-20,23-33,39-41,44,52H,13,15,17-18,21-22H2,1-10H3/b14-11+,16-12+,20-19+/t27-,28+,29-,30+,31-,32+,33-,39-,40-,41-,44+/m0/s1
InChIKey: WAHTUYVUQLITBX-YMFHOPMHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 865.034
TPSA？: 206.76
MolLogP？: 7.250000000000009
Number of H-Donors: 1
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | 3Y1 cell line | IC50 | 7.0 | nM | 10.1021/acs.jnatprod.8b00101 |