None

AlkaPlorer ID: AK323257

Synonym: None

IUPAC Name: (5S)-5-[(6R,8S)-8-methoxy-6,8-dihydrofuro[3,4-g][1,3]benzodioxol-6-yl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

Structure

SMILES: CO[C@H]1O[C@@H]([C@@H]2C3=CC4=C(C=C3CCN2C)OCO4)C2=CC=C3OCOC3=C21

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InChI: InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19+,21-/m0/s1

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InChIKey: UYKOVOXFSYCDFP-ZVDOUQERSA-N

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Reference

PubChem CID: 155557608

NPASS: NPC481428

Source

Properties Information

Molecule Weight: 383.40000000000015

TPSA: 58.620000000000005

MolLogP: 3.089500000000001

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Beta-glucuronidase Inhibition 32.4 % 10.1016/j.ejmech.2019.111921
None Unchecked IC50 6800.0 nM 10.1021/acs.jnatprod.9b00247
None Unchecked Inhibition nan % 10.1021/acs.jnatprod.9b00247

Metabolism Information