(-)-Secoplicamine

AlkaPlorer ID: AK028924

Synonym: ''

IUPAC Name: N-[(1'R,5'R,8S)-6-[2-(4-hydroxyphenyl)ethyl]-5'-methoxy-7-oxospiro[5H-[1,3]dioxolo[4,5-g]isoquinoline-8,2'-cyclohex-3-ene]-1'-yl]-N-methylformamide

Structure

SMILES: CO[C@H]1C=C[C@@]2(C(=O)N(CCC3=CC=C(O)C=C3)CC3=CC4=C(C=C32)OCO4)[C@H](N(C)C=O)C1

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InChI: InChI=1S/C26H28N2O6/c1-27(15-29)24-12-20(32-2)7-9-26(24)21-13-23-22(33-16-34-23)11-18(21)14-28(25(26)31)10-8-17-3-5-19(30)6-4-17/h3-7,9,11,13,15,20,24,30H,8,10,12,14,16H2,1-2H3/t20-,24+,26-/m0/s1

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InChIKey: XEPJPIFQSAHGNY-KHMOSXFSSA-N

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Source

Properties Information

Molecule Weight: 464.5180000000003

TPSA: 88.53999999999999

MolLogP: 2.3753

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information