Predicentrine
AlkaPlorer ID: AK007368
Synonym: None
IUPAC Name: (6aS)-1,9,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C3C(=CC(O)=C1OC)CCN(C)[C@H]3C2
InChI: InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1
InChIKey: OUTYMWDDJORZOH-AWEZNQCLSA-N
Reference
Minor Alkaloids of<i>Corydalis bulbosa</i>, Structure of Bulbodione
PubChem CID: 10042942
LOTUS: LTS0244003
SuperNatural Ⅲ: SN0275803-01
NPASS: NPC253043
data_source: manually
Source
Properties Information
Molecule Weight: 341.4070000000001
TPSA？: 51.16
MolLogP？: 3.170100000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 29000.0 | nM | 10.1021/np8004437 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 27800.0 | nM | 10.1021/np8004437 |
| Rattus norvegicus | Dopamine D1 receptor | Ki | 240.0 | nM | 10.1021/jm060959i |
| Rattus norvegicus | Dopamine D2 receptor | Ki | 760.0 | nM | 10.1021/jm060959i |
| None | Platelet | Activity | 0.0 | % | 10.1021/np970348g |
| None | Platelet | Activity | 0.0 | % | 10.1021/np9800046 |
| None | Platelet | Activity | 62.0 | % | 10.1021/np9800046 |
| None | Platelet | Activity | 74.0 | % | 10.1021/np970348g |
| None | Platelet | Activity | 74.0 | % | 10.1021/np9800046 |
| None | Platelet | Activity | 83.2 | % | 10.1021/np9800046 |
| None | Platelet | Activity | 88.9 | % | 10.1021/np9800046 |