Molecule

Dicentrine; (S)-form, O9-De-Me

AlkaPlorer ID: AK295491

Synonym: 9-Hydroxy-10-methoxy-1,2-methylenedioxyaporphine, Cassythicine, N-Methylactinodaphnine

IUPAC Name: 17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol

SMILES: COC1=CC2=C(C=C1O)CC1C3=C(C=C4OCOC4=C23)CCN1C

InChI: InChI=1S/C19H19NO4/c1-20-4-3-10-7-16-19(24-9-23-16)18-12-8-15(22-2)14(21)6-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3

InChIKey: MPWZJVCAMFAIGV-UHFFFAOYSA-N

PubChem CID: 4440434

CAS: 5890-28-8

LOTUS: LTS0229683

COCONUT: CNP0210162.3

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Cassytha	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Laurus nobilis	Laurus	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cassytha glabella	Cassytha	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Litsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cassytha melantha	Cassytha	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hernandia cordigera	Hernandia	Hernandiaceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Ocotea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Neolitsea sericea	Neolitsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Ocotea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Litsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Ocotea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 325.3640000000001

TPSA？: 51.16

MolLogP？: 2.881600000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi