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None

AlkaPlorer ID: AK323024

Synonym: None

IUPAC Name: 4-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-1-ol

Structure

SMILES: COC1=C2C(C)=N[C@H](C)CC2=C(C2=CC=C(O)C3=C(OC)C=C(C)C=C23)C(OC)=C1

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InChI: InChI=1S/C25H27NO4/c1-13-9-17-16(7-8-19(27)25(17)20(10-13)28-4)24-18-11-14(2)26-15(3)23(18)21(29-5)12-22(24)30-6/h7-10,12,14,27H,11H2,1-6H3/t14-/m1/s1

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InChIKey: GVGRYGWGGUHNJH-CQSZACIVSA-N

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Reference

PubChem CID: 145981579

NPASS: NPC480000

Properties Information

Molecule Weight: 405.49400000000014

TPSA？: 60.28

MolLogP？: 5.300220000000005

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 ADR5000 cell line IC50 19940.0 nM 10.1021/acs.jnatprod.7b01041
Homo sapiens CCRF-CEM IC50 11690.0 nM 10.1021/acs.jnatprod.7b01041
Homo sapiens PANC-1 Activity 11.0 % 10.1021/acs.jnatprod.8b00733
Homo sapiens PANC-1 Activity 58.0 % 10.1021/acs.jnatprod.8b00733
Homo sapiens PANC-1 Activity 100.0 % 10.1021/acs.jnatprod.8b00733
Homo sapiens PANC-1 Activity nan None 10.1021/acs.jnatprod.8b00733
Homo sapiens PANC-1 Inhibition 90.0 % 10.1021/acs.jnatprod.8b00733
Homo sapiens PANC-1 Inhibition 100.0 % 10.1021/acs.jnatprod.8b00733
Homo sapiens PANC-1 Inhibition nan % 10.1021/acs.jnatprod.8b00733
Homo sapiens PANC-1 PC50 2.5 uM 10.1021/acs.jnatprod.8b00733
None Unchecked Inhibition 48.0 % 10.1021/acs.jnatprod.8b00733
None Unchecked Inhibition 65.0 % 10.1021/acs.jnatprod.8b00733
None Unchecked Inhibition 86.0 % 10.1021/acs.jnatprod.8b00733
None Unchecked Inhibition 92.0 % 10.1021/acs.jnatprod.8b00733
None Unchecked Inhibition 99.0 % 10.1021/acs.jnatprod.8b00733
None Unchecked Inhibition 100.0 % 10.1021/acs.jnatprod.8b00733
None Unchecked Inhibition nan % 10.1021/acs.jnatprod.8b00733
None Unchecked Ratio IC50 1.7 None 10.1021/acs.jnatprod.7b01041

Metabolism Information