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Rhazinilam

AlkaPlorer ID: AK036302

Synonym: None

IUPAC Name: (12R)-12-ethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one

Structure

SMILES: CC[C@]12CCCN3C=CC(=C31)C1=CC=CC=C1N=C(O)CC2

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InChI: InChI=1S/C19H22N2O/c1-2-19-10-5-12-21-13-9-15(18(19)21)14-6-3-4-7-16(14)20-17(22)8-11-19/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3,(H,20,22)/t19-/m1/s1

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InChIKey: VLQAFTDOIRUYSZ-LJQANCHMSA-N

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Reference

Aspidofractinine alkaloids from Kopsia teoi

PubChem CID: 11312435

LOTUS: LTS0103897

SuperNatural Ⅲ: SN0393606-01

NPASS: NPC129721

data_source: manually

Properties Information

Molecule Weight: 294.3980000000001

TPSA？: 37.52

MolLogP？: 4.978500000000005

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 350.0 nM 10.1021/np800489e
Homo sapiens HT-29 IC50 350.0 nM 10.1021/np800489e
Homo sapiens KB IC50 650.0 nM 10.1021/np0703747
Homo sapiens PBMC Activity nan None 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 16.7 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 16.8 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 17.6 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 19.7 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 22.9 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 40.3 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 41.1 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 41.6 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 42.1 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 42.4 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 57.4 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 66.5 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 68.8 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 69.3 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity 70.3 % 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Activity nan None 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line IC50 1000.0 nM 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line IC50 1100.0 nM 10.1021/acs.jnatprod.6b00697
Homo sapiens T-cell line Inhibition nan % 10.1021/acs.jnatprod.6b00697
None ADMET IC50 500.0 nM 10.1016/S0960-894X(97)00391-0
None ADMET IC50 nan nM 10.1016/S0960-894X(97)00391-0
None NON-PROTEIN TARGET IC50 830.0 nM 10.1021/np0703747
None NON-PROTEIN TARGET IC50 1160.0 nM 10.1021/np0703747
None Unchecked IC50 2000.0 nM 10.1016/S0960-894X(97)00391-0
None Unchecked Ratio 1.0 None 10.1016/S0960-894X(97)00391-0
None Unchecked Ratio nan None 10.1016/S0960-894X(97)00391-0

Metabolism Information