Molecule

Discretamine; (S)-form

AlkaPlorer ID: AK296877

Synonym: None

IUPAC Name: 2,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-3,10-diol

SMILES: COC1=CC2=C(C=C1O)CCN1CC3=C(OC)C(O)=CC=C3CC21

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

InChIKey: OPLHOPJAFJJLPX-UHFFFAOYSA-N

PubChem CID: 10336557

CAS: 1356-73-6

LOTUS: LTS0030474

COCONUT: CNP0232306.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Desmos	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Duguetia calycina	Duguetia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Schefferomitra subaequalis	Schefferomitra	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Xylopia buxifolia	Xylopia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Xylopia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Mitrella	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Xylopia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 327.38

TPSA？: 62.16000000000001

MolLogP？: 2.770500000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi