Physovenine
AlkaPlorer ID: AK020136
Synonym: '', 'Physovenine'
IUPAC Name: [(3aS,8bS)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-methylcarbamate
Structure
SMILES: CNC(=O)OC1=CC=C2C(=C1)[C@]1(C)CCO[C@@H]1N2C
InChI: InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12-,14-/m0/s1
InChIKey: LXTKNVLLWOLCOV-JSGCOSHPSA-N
Reference
286. Alkaloids of Physostigma venenosum. Part I. The structure of physovenine
PubChem CID: 442113
CAS: 6091-05-0
LOTUS: LTS0157218
SuperNatural Ⅲ: SN0218306-01
NPASS: NPC70172
Source
Properties Information
Molecule Weight: 262.309
TPSA？: 50.8
MolLogP？: 1.8587
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | IC50 | 4.0 | nM | 10.1016/j.ejmech.2022.114606 |
| Homo sapiens | Acetylcholinesterase | IC50 | 27.0 | nM | 10.1021/jm050578p |
| Homo sapiens | Acetylcholinesterase | logIC50 | 1.43 | None | 10.1021/jm100573q |
| Homo sapiens | Butyrylcholinesterase | IC50 | 4.0 | nM | 10.1021/jm050578p |
| Homo sapiens | Butyrylcholinesterase | IC50 | 6.7 | nM | 10.1016/j.ejmech.2022.114606 |
| Homo sapiens | Cholinesterases; ACHE & BCHE | Ratio IC50 | 7.0 | None | 10.1021/jm050578p |
| Homo sapiens | Cholinesterases; ACHE & BCHE | Ratio IC50 | 27.0 | None | 10.1016/j.ejmech.2022.114606 |