(3aS,8aR)-3a-[(2E)-3-carboxylato-3-methylprop-2-en-1-yl]-1,8,8-trimethyl-2H,3H,8aH-pyrrolo[2,3-b]indol-8-ium
AlkaPlorer ID: AK318645
Synonym: None
IUPAC Name: (E)-4-[(3aR,8bS)-3,4,4-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-8b-yl]-2-methylbut-2-enoate
Structure
SMILES: C/C(=C\C[C@@]12CCN(C)[C@@H]1[N+](C)(C)C1=CC=CC=C12)C(=O)[O-]
InChI: InChI=1S/C18H24N2O2/c1-13(16(21)22)9-10-18-11-12-19(2)17(18)20(3,4)15-8-6-5-7-14(15)18/h5-9,17H,10-12H2,1-4H3/b13-9+/t17-,18+/m1/s1
InChIKey: DVBZNARPPNBKQX-IDPXHPCFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Selaginella moellendorffii | Selaginella | Selaginellaceae | Selaginellales | Lycopodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 300.4020000000001
TPSA？: 43.370000000000005
MolLogP？: 1.2528
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/np9001515 |
| Homo sapiens | A549 | Activity | None | None | 10.1021/np9001515 |
| Homo sapiens | Acetylcholinesterase | Activity | None | None | 10.1021/np9001515 |
| Homo sapiens | K562 | Activity | None | None | 10.1021/np9001515 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np9001515 |