(5Z)-25-{8-hydroxy-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}-11,22-diazapentacyclo[11.11.2.1²,²².0²,¹².0?,¹¹]heptacosa-5,16,25-trien-13-ol
AlkaPlorer ID: AK076577
Synonym: None
IUPAC Name: (1S,2R,4R,12R,13S,16Z)-25-[(1R)-8-hydroxy-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
Structure
SMILES: CN1CCC2=C(NC3=C(O)C=CC=C23)[C@H]1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@H]12)C3
InChI: InChI=1S/C37H50N4O2/c1-39-21-16-28-27-14-12-15-31(42)32(27)38-33(28)34(39)29-24-37(43)18-9-5-2-3-6-10-19-40-22-17-30(29)36(25-40)23-26-13-8-4-7-11-20-41(26)35(36)37/h2,5,8,12-15,24,26,30,34-35,38,42-43H,3-4,6-7,9-11,16-23,25H2,1H3/b5-2-,13-8?/t26-,30-,34+,35+,36-,37-/m0/s1
InChIKey: YLCJIWKKTUUEQE-QMNQCSDUSA-N
Reference
PubChem CID: 163030286
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spatholobus suberectus | Spatholobus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cinnamomum tamala | Cinnamomum | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 582.8330000000003
TPSA？: 65.97000000000001
MolLogP？: 6.085200000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|