1',2',3',4'-Tetradehydrotubulosine
AlkaPlorer ID: AK116185
Synonym: ''
IUPAC Name: 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-9H-pyrido[3,4-b]indol-6-ol
Structure
SMILES: CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1CC1=NC=CC2=C1NC1=CC=C(O)C=C12
InChI: InChI=1S/C29H33N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-7,9,13-15,17,19,26,31,33H,4,8,10-12,16H2,1-3H3/t17-,19-,26-/m0/s1
InChIKey: FYIJNEXYFHEJLZ-IAKTWSEQSA-N
Reference
1‘,2‘,3‘,4‘-Tetradehydrotubulosine, a Cytotoxic Alkaloid from <i>Pogonopus speciosus</i>
PubChem CID: 21668793
LOTUS: LTS0233927
NPASS: NPC295228
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pogonopus speciosus | Pogonopus | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 471.6010000000002
TPSA？: 70.61
MolLogP？: 5.626900000000006
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Col2 | ED50 | 2.8 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | KB | ED50 | 2.2 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | KB | ED50 | 8.8 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | KB | ED50 | 9.0 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | LNCaP | ED50 | 6.8 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | Lu1 | ED50 | 3.6 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | SK-N-SH | ED50 | 4.0 | ug ml-1 | 10.1021/np990255u |
| Homo sapiens | SW626 | ED50 | 6.1 | ug ml-1 | 10.1021/np990255u |
| Mus musculus | M109 | ED50 | 4.4 | ug ml-1 | 10.1021/np990255u |
| None | NON-PROTEIN TARGET | ED50 | 3.9 | ug ml-1 | 10.1021/np990255u |