Molecule

Pakistanine

AlkaPlorer ID: AK309191

Synonym: None

IUPAC Name: 9-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CCN(C)C2CC1=CC=C(OC2=C(O)C=C3C(=C2)CC2C4=C(C=C(OC)C(O)=C34)CCN2C)C=C1

InChI: InChI=1S/C37H40N2O6/c1-38-12-10-22-16-32(42-3)33(43-4)20-26(22)28(38)14-21-6-8-25(9-7-21)45-31-18-24-15-29-35-23(11-13-39(29)2)17-34(44-5)37(41)36(35)27(24)19-30(31)40/h6-9,16-20,28-29,40-41H,10-15H2,1-5H3

InChIKey: PJBCPYBIOOFQBE-UHFFFAOYSA-N

Reference

Berberis alkaloids. XXIX. An investigation of the alkaloids ofBerberis sibirica

PubChem CID: 21769997

CAS: 36506-69-1

LOTUS: LTS0214477

COCONUT: CNP0345929.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Berberis calliobotrys	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Berberis valdiviana	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Berberis empetrifolia	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Berberis orthobotrys	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Berberis	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 608.7350000000001

TPSA？: 83.86

MolLogP？: 6.439700000000009

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi