Californidine
AlkaPlorer ID: AK006973
Synonym: None
IUPAC Name: (1S,12S)-23,23-dimethyl-5,7,17-trioxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene;chloride
Structure
SMILES: C[N+]1([C@H]2CC3=CC4=C(COC4)C=C3[C@@H]1CC5=CC6=C(C=C25)OCO6)C.[Cl-]
InChI: InChI=1S/C21H22NO3.ClH/c1-22(2)18-6-13-7-20-21(25-11-24-20)8-17(13)19(22)5-12-3-14-9-23-10-15(14)4-16(12)18;/h3-4,7-8,18-19H,5-6,9-11H2,1-2H3;1H/q+1;/p-1/t18-,19-;/m0./s1
InChIKey: GLCGPUDWOPXBAY-HLRBRJAUSA-M
Reference
PubChem CID: 45266443
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eschscholzia californica | Eschscholzia | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.86400000000015
TPSA？: 27.69
MolLogP？: 0.42049999999999965
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 3A4 | IC50 | 80000.0 | nM | 10.1021/np058114h |
| Homo sapiens | Serotonin 1a (5-HT1a) receptor | Activity | nan | None | 10.1021/np058114h |
| Homo sapiens | Serotonin 1a (5-HT1a) receptor | EC50 | 100000.0 | nM | 10.1021/np058114h |