Molecule

Cannabisin E

AlkaPlorer ID: AK291544

Synonym: None

IUPAC Name: 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2-methoxyphenoxy]propanamide

Structure

SMILES: COC1=CC(C(O)C(OC2=CC=C(/C=C/C(O)=NCCC3=CC=C(O)C=C3)C=C2OC)C(O)=NCCC2=CC=C(O)C=C2)=CC=C1O

InChI: InChI=1S/C36H38N2O9/c1-45-31-22-26(9-14-29(31)41)34(43)35(36(44)38-20-18-24-5-12-28(40)13-6-24)47-30-15-7-25(21-32(30)46-2)8-16-33(42)37-19-17-23-3-10-27(39)11-4-23/h3-16,21-22,34-35,39-41,43H,17-20H2,1-2H3,(H,37,42)(H,38,44)/b16-8+

InChIKey: RMSITXIMTOOGNZ-LZYBPNLTSA-N

Reference

Three acyclic bis-phenylpropane lignanamides from fruits of Cannabis sativa

PubChem CID: 101920423

CAS: 163136-16-1

LOTUS: LTS0080962

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alocasia cucullata	Alocasia	Araceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hyoscyamus niger	Hyoscyamus	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cannabis sativa	Cannabis	Cannabaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Nicandra	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Datura metel	Datura	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 642.7050000000005

TPSA？: 173.79

MolLogP？: 5.713200000000006

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi