Molecule

Decussine

AlkaPlorer ID: AK052633

Synonym: None

IUPAC Name: (20R)-11,20-dimethyl-1,11,17-triazapentacyclo[10.8.1.02,7.08,21.014,19]henicosa-2,4,6,8(21),12,14(19),15,17-octaene

SMILES: C[C@@H]1C2=CN=CC=C2C=C2C3=C(CCN2C)C2=CC=CC=C2N31

InChI: InChI=1S/C20H19N3/c1-13-17-12-21-9-7-14(17)11-19-20-16(8-10-22(19)2)15-5-3-4-6-18(15)23(13)20/h3-7,9,11-13H,8,10H2,1-2H3/t13-/m1/s1

InChIKey: CSRPMFCRBOSISJ-CYBMUJFWSA-N

PubChem CID: 156336

CAS: 75375-52-9

SuperNatural Ⅲ: SN0054529-01

NPASS: NPC40070

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Seseli grandivittatum	Seseli	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hypericum choisyanum	Hypericum	Hypericaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Angelica decursiva	Angelica	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Strychnos dale	Strychnos	Loganiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Strychnos decussata	Strychnos	Loganiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 301.393

TPSA？: 21.06

MolLogP？: 3.945000000000003

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Rattus norvegicus	Rattus norvegicus	Activity	50.0	%	10.1021/np50016a004
Rattus norvegicus	Rattus norvegicus	Activity	nan	None	10.1021/np50016a004