(5R)-5-[(1S)-4,5-dimethoxy-3-methylidene-1H-2-benzofuran-1-yl]-4-methoxy-6-methyl-2H,5H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline

AlkaPlorer ID: AK088893

Synonym: None

IUPAC Name: (5R)-5-[(1S)-4,5-dimethoxy-3-methylidene-1H-2-benzofuran-1-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline

Structure

SMILES: C=C1O[C@H]([C@H]2C3=C(OC)C4=C(C=C3CCN2C)OCO4)C2=CC=C(OC)C(OC)=C12

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InChI: InChI=1S/C23H25NO6/c1-12-17-14(6-7-15(25-3)21(17)26-4)20(30-12)19-18-13(8-9-24(19)2)10-16-22(23(18)27-5)29-11-28-16/h6-7,10,19-20H,1,8-9,11H2,2-5H3/t19-,20+/m1/s1

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InChIKey: XKIFTXQTBJZSEZ-UXHICEINSA-N

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Reference

PubChem CID: 162985719

SuperNatural Ⅲ: SN0432538-01

NPASS: NPC131901

Properties Information

Molecule Weight: 411.4540000000002

TPSA: 58.620000000000005

MolLogP: 3.7123000000000026

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information