None
AlkaPlorer ID: AK324013
Synonym: None
IUPAC Name: methyl (1S,15S,17S,18S)-17-ethyl-7-[(1S,12S,14R,15S)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Structure
SMILES: CC[C@H]1C[C@@H]2CN3CCC4=C(NC5=CC(OC)=C([C@@H]6C[C@H]7C(C(=O)OC)[C@H](CC8=C6NC6=CC=CC=C86)N(C)C[C@H]7CC)C=C45)[C@](C(=O)OC)(C2)[C@H]13
InChI: InChI=1S/C43H54N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-17-30(36(50-4)19-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h9-12,17,19,23-25,28,31,35,37,40,44-45H,7-8,13-16,18,20-22H2,1-6H3/t23-,24-,25+,28+,31-,35-,37?,40-,43+/m0/s1
InChIKey: LYTNVXYGPHGPKA-CYOLYWJXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana corymbosa | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 706.9279999999999
TPSA？: 99.89
MolLogP？: 6.568800000000008
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | EC50 | 16000.0 | nM | 10.1021/acs.jnatprod.9b00856 |
| Homo sapiens | HeLa | Inhibition | nan | % | 10.1021/acs.jnatprod.9b00856 |