Molecule

Fetidine

AlkaPlorer ID: AK043963

Synonym: 'Fetidine', ''

IUPAC Name: (6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CCN(C)[C@H]2CC1=CC=C(OC)C(OC)=C1OC1=CC2=C(C=C1OC)C1=C(O)C(OC)=CC3=C1[C@H](C2)N(C)CC3

InChI: InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(45-4)32(46-5)20-26(22)28(41)15-24-9-10-30(44-3)40(49-8)39(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(48-7)38(43)37(36)27(25)21-33(34)47-6/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29-/m0/s1

InChIKey: IBHSRCBKJMEBQB-VMPREFPWSA-N

Reference

Alkaloids of Thalictrum foetidum

PubChem CID: 442233

CAS: 7072-86-8

LOTUS: LTS0075387

SuperNatural Ⅲ: SN0141051-03

NPASS: NPC240343

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Mucuna birdwoodiana	Mucuna	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cannabis sativa	Cannabis	Cannabaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Annona squamosa	Annona	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thalictrum foetidum	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solanum aculeatissimum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 682.814

TPSA？: 91.32

MolLogP？: 6.759900000000008

Number of H-Donors: 1

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi