CIV7_4.1
AlkaPlorer ID: AK001831
Synonym: '', 'Habropetaline A'
IUPAC Name: (1R,3S)-7-[2-(hydroxymethyl)-4,5-dimethoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Structure
SMILES: COC1=CC=CC2=C(C3=CC=C4C[C@H](C)N[C@H](C)C4=C3O)C(CO)=CC(OC)=C12
InChI: InChI=1S/C24H27NO4/c1-13-10-15-8-9-18(24(27)21(15)14(2)25-13)22-16(12-26)11-20(29-4)23-17(22)6-5-7-19(23)28-3/h5-9,11,13-14,25-27H,10,12H2,1-4H3/t13-,14+/m0/s1
InChIKey: UORJGZQGXAWGDM-UONOGXRCSA-N
Source
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Properties Information
Molecule Weight: 393.4830000000002
TPSA？: 70.95
MolLogP？: 4.317100000000004
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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