2,3,4,9-Tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid; (1S,3S)-form
AlkaPlorer ID: AK038906
Synonym: '', '42438-72-2', '5470-37-1', '143396-05-8', '40678-46-4'
IUPAC Name: (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: C[C@@H]1N[C@H](C(=O)O)CC2=C1NC1=CC=CC=C21
InChI: InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)/t7-,11-/m0/s1
InChIKey: ZUPHXNBLQCSEIA-CPCISQLKSA-N
Reference
Alkaloidosteroids from the starfish Lethasterias nanimensis chelifera
PubChem CID: 148385
CAS: 40678-46-4
LOTUS: LTS0161945
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lethasterias nanimensis | Lethasterias | Asteriidae | Forcipulatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 230.267
TPSA？: 65.12
MolLogP？: 1.8278
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Meriones unguiculatus | Meriones unguiculatus | Activity | -13.6 | % | 10.1016/j.bmcl.2016.09.006 |
| Meriones unguiculatus | Meriones unguiculatus | Activity | 40.0 | % | 10.1016/j.bmcl.2016.09.006 |
| Rattus norvegicus | Integrin subunit alpha 2b/beta-3 | EC50 | 1660.0 | nM | 10.1016/j.bmcl.2017.10.068 |
| Rattus norvegicus | Integrin subunit alpha 2b/beta-3 | Inhibition | nan | % | 10.1016/j.bmcl.2017.10.068 |
| Rattus norvegicus | Rattus norvegicus | Activity | nan | None | 10.1016/j.bmcl.2017.10.068 |
| None | NON-PROTEIN TARGET | IC50 | 130000.0 | nM | 10.1016/j.ejmech.2011.04.037 |
| None | Platelet | Activity | nan | None | 10.1016/j.bmcl.2017.10.068 |
| None | Platelet | MEC | 1.0 | 10'-5M | 10.1016/j.bmcl.2017.10.068 |