{6-methyl-6,11-diazatetracyclo[7.6.1.0²,?.0¹²,¹?]hexadeca-1(15),2,9,12(16),13-pentaen-4-yl}methanol
AlkaPlorer ID: AK020295
Synonym: 'MLS001049075', 'SMR000386913'
IUPAC Name: [(6aS,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
Structure
SMILES: CN1C[C@H](CO)C=C2C3=CC=CC4=C3C(=CN4)C[C@@H]21
InChI: InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15+/m1/s1
InChIKey: BIXJFIJYBLJTMK-BMIGLBTASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ipomoea violacea | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ipomoea nil | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ipomoea tricolor | Ipomoea | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 254.333
TPSA？: 39.26
MolLogP？: 2.0299
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 12589.3 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 10000.0 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 11220.2 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 3981.07 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 125.89 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 125.9 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | 12589.25 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 12589.3 | nM | None |
| Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 12589.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 3548.1 | nM | None |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Potency | 3162.3 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 14125.4 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 12589.3 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 31622.8 | nM | None |