Caseamine

AlkaPlorer ID: AK018109

Synonym: '(-)-Caseamine'

IUPAC Name: (13aS)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,11-diol

Structure

SMILES: COC1=C(O)C=C2C[C@H]3C4=C(O)C(OC)=CC=C4CCN3CC2=C1

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InChI: InChI=1S/C19H21NO4/c1-23-16-4-3-11-5-6-20-10-13-9-17(24-2)15(21)8-12(13)7-14(20)18(11)19(16)22/h3-4,8-9,14,21-22H,5-7,10H2,1-2H3/t14-/m0/s1

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InChIKey: NGBDVHCLWGVLEN-AWEZNQCLSA-N

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Reference

Alkaloids from Anomianthus dulcis

PubChem CID: 14108920

LOTUS: LTS0007872

SuperNatural Ⅲ: SN0244548-01

Source

Properties Information

Molecule Weight: 327.3800000000001

TPSA: 62.16

MolLogP: 2.770500000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information