Codamine
AlkaPlorer ID: AK004969
Synonym: None
IUPAC Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
SMILES: COC1=C(O)C=C2C(=C1)CCN(C)[C@H]2CC1=CC=C(OC)C(OC)=C1
InChI: InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1
InChIKey: OKORHWXYDBSYNO-INIZCTEOSA-N
Reference
Bioactive Constituents of the Roots of <i>Polyalthia cerasoides</i>
PubChem CID: 20056510
CAS: 21040-59-5
LOTUS: LTS0053962
SuperNatural Ⅲ: SN0268039-01
NPASS: NPC246587
Source
Properties Information
Molecule Weight: 343.42300000000006
TPSA？: 51.16000000000001
MolLogP？: 3.189700000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 5.0 | ug.mL-1 | 10.1021/np070293a |
| Homo sapiens | NCI-H187 | IC50 | 5.0 | ug.mL-1 | 10.1021/np070293a |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Activity | nan | None | 10.1021/np070293a |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 4.2 | ug.mL-1 | 10.1021/np070293a |
| None | NON-PROTEIN TARGET | IC50 | 5.0 | ug.mL-1 | 10.1021/np070293a |