Hypecoleptopine; (±)-form

AlkaPlorer ID: AK302197

Synonym: None

IUPAC Name: 6'-hydroxy-7'-imino-6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,8'-9H-[1,3]benzodioxolo[6,7-g]isoquinoline]-10'-one

Structure

SMILES: CN1CCC2=CC3=C(C=C2C12NC(=O)C1=CC4=C5OCOC5=CC=C4C(O)=C1C2=N)OCO3

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InChI: InChI=1S/C24H19N3O6/c1-27-5-4-11-6-17-18(32-9-31-17)8-15(11)24(27)22(25)19-14(23(29)26-24)7-13-12(20(19)28)2-3-16-21(13)33-10-30-16/h2-3,6-8,25,28H,4-5,9-10H2,1H3,(H,26,29)

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InChIKey: LUXLOXDDGNJPIC-UHFFFAOYSA-N

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Reference

PubChem CID: 135536031

CAS: 401947-62-4

COCONUT: CNP0176966.1

Source

Properties Information

Molecule Weight: 445.4310000000002

TPSA: 113.34000000000005

MolLogP: 2.4549700000000003

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information