Molecule

Predicentrine; (S)-form

AlkaPlorer ID: AK310971

Synonym: None

IUPAC Name: 1,9,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol

SMILES: COC1=CC2=C(C=C1OC)C1=C(OC)C(O)=CC3=C1C(C2)N(C)CC3

InChI: InChI=1S/C20H23NO4/c1-21-6-5-11-8-15(22)20(25-4)19-13-10-17(24-3)16(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3

InChIKey: OUTYMWDDJORZOH-UHFFFAOYSA-N

PubChem CID: 6452494

CAS: 517-65-7

LOTUS: LTS0235459

COCONUT: CNP0408255.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Liriodendron tulipifera	Liriodendron	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Beilschmiedia	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Ocotea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Litsea triflora	Litsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corydalis cava	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Glaucium	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ocotea minarum	Ocotea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Glaucium	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Ocotea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Ocotea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Glaucium	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 341.4070000000001

TPSA？: 51.16

MolLogP？: 3.170100000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi