Molecule

UNPD10143

AlkaPlorer ID: AK033732

Synonym: None

IUPAC Name: (E)-2-[(5S,7R,9S)-9-methoxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl]but-2-enal

Structure

SMILES: C/C=C(/C=O)[C@H]1C[C@H](OC)N2C3=C(CCN(C)[C@H]3C1)C1=CC=CC=C12

InChI: InChI=1S/C21H26N2O2/c1-4-14(13-24)15-11-19-21-17(9-10-22(19)2)16-7-5-6-8-18(16)23(21)20(12-15)25-3/h4-8,13,15,19-20H,9-12H2,1-3H3/b14-4-/t15-,19+,20+/m1/s1

InChIKey: SILDJCOKNNOTCC-RLWVPSLYSA-N

Reference

Alkaloids and a pimarane diterpenoid from Strychnos vanprukii

PubChem CID: 10980672

LOTUS: LTS0261393

SuperNatural Ⅲ: SN0346354-02

NPASS: NPC234987

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Strychnos elaeocarpa	Strychnos	Loganiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hypericum choisyanum	Hypericum	Hypericaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Strychnos dale	Strychnos	Loganiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Strychnos decussata	Strychnos	Loganiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 338.4510000000001

TPSA？: 34.47

MolLogP？: 3.8705000000000034

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	Mus musculus	Activity	45.3	mg kg-1	10.1021/np50007a007