Molecule

(14S)-16,17-dimethoxy-14-(trichloromethyl)-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),2(10),3,8,15(20),16,18-heptaene

AlkaPlorer ID: AK085758

Synonym: None

IUPAC Name: (14S)-16,17-dimethoxy-14-(trichloromethyl)-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene

Structure

SMILES: COC1=CC=C2C=C3C4=CC5=C(C=C4CCN3[C@H](C(Cl)(Cl)Cl)C2=C1OC)OCO5

InChI: InChI=1S/C21H18Cl3NO4/c1-26-15-4-3-12-7-14-13-9-17-16(28-10-29-17)8-11(13)5-6-25(14)20(21(22,23)24)18(12)19(15)27-2/h3-4,7-9,20H,5-6,10H2,1-2H3/t20-/m0/s1

InChIKey: CAGHPRDTHLKFCW-FQEVSTJZSA-N

Reference

Tertiary dihydroprotoberberine alkaloids of Berberis lycium

PubChem CID: 92170520

LOTUS: LTS0105433

SuperNatural Ⅲ: SN0040261-01

NPASS: NPC12607

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cetraria australiensis	Cetraria	Parmeliaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Bohadschia marmorata	Bohadschia	Holothuriidae	Aspidochirotida	Holothuroidea	Echinodermata	Metazoa	Eukaryota
Grifola frondosa	Grifola	Grifolaceae	Polyporales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Berberis oblonga	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ligularia nelumbifolia	Ligularia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 454.73700000000014

TPSA？: 40.16

MolLogP？: 5.213600000000003

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi