UNPD105521
AlkaPlorer ID: AK466653
Synonym: None
IUPAC Name: methyl (1R,4S,7S,14R,20R,21S,24E,25S,26S,38S,39S)-24-ethylidene-39-methyl-3,11,22,27-tetrazadodecacyclo[20.11.2.13,15.14,7.17,11.121,25.01,20.04,14.020,27.028,33.014,38.019,37]nonatriaconta-15(37),16,18,28,30,32-hexaene-26-carboxylate
Structure
SMILES: C/C=C1/CN2CC[C@@]34CN5C6=C(C=CC=C6[C@@]36[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N6C1=CC=CC=C14)[C@@]12CCN3CCC[C@@]4(CC[C@@]51[C@H]4C)[C@H]32
InChI: InChI=1S/C40H46N4O2/c1-4-25-22-42-19-16-37-23-43-33-28(38-17-20-41-18-8-13-36(35(38)41)14-15-39(38,43)24(36)2)10-7-11-29(33)40(37)31(42)21-26(25)32(34(45)46-3)44(40)30-12-6-5-9-27(30)37/h4-7,9-12,24,26,31-32,35H,8,13-23H2,1-3H3/b25-4-/t24-,26-,31-,32-,35-,36-,37-,38+,39-,40+/m0/s1
InChIKey: NHYWHOQGRJLYBG-HKIMRKGLSA-N
Reference
Alkaloids of Hunteria zeylanica
PubChem CID: 163189030
LOTUS: LTS0173833
SuperNatural Ⅲ: SN0246110-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hunteria congolana | Hunteria | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 614.8340000000001
TPSA？: 39.260000000000005
MolLogP？: 5.343800000000006
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|