Molecule

UNPD146636

AlkaPlorer ID: AK325398

Synonym: None

IUPAC Name: (1S,9S,10E,11S,12E,17R)-12-ethylidene-10-(hydroxymethylidene)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-17-ol

Structure

SMILES: C/C=C1/CN2CC[C@]34C5=CC=CC=C5N[C@H]3/C(=C/O)[C@H]1C[C@]24O

InChI: InChI=1S/C19H22N2O2/c1-2-12-10-21-8-7-18-15-5-3-4-6-16(15)20-17(18)14(11-22)13(12)9-19(18,21)23/h2-6,11,13,17,20,22-23H,7-10H2,1H3/b12-2-,14-11+/t13-,17-,18-,19+/m0/s1

InChIKey: CMDBBCMUPZOZNV-YBLBLLAWSA-N

Reference

Evaluation of Strychnos pseudoquina ST. HIL. Leaves Extract on Gastrointestinal Activity in Mice

PubChem CID: 11771312

LOTUS: LTS0095077

SuperNatural Ⅲ: SN0049530-02

NPASS: NPC89331

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pulicaria mauritanica	Pulicaria	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Trianthema portulacastrum	Trianthema	Aizoaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Verbena stricta	Verbena	Verbenaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Spiranthes sinensis	Spiranthes	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vernonia fasciculata	Vernonia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vatica oblongifolia	Vatica	Dipterocarpaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 310.3970000000001

TPSA？: 55.73

MolLogP？: 2.534500000000001

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi