Molecule

Pakistanamine

AlkaPlorer ID: AK309186

Synonym: None

IUPAC Name: 2'-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CCN(C)C2CC1=CC=C(OC2=CC3(C=CC2=O)CC2C4=C(C=C(OC)C(OC)=C43)CCN2C)C=C1

InChI: InChI=1S/C38H42N2O6/c1-39-15-12-24-18-31(42-3)32(43-4)20-27(24)28(39)17-23-7-9-26(10-8-23)46-34-22-38(14-11-30(34)41)21-29-35-25(13-16-40(29)2)19-33(44-5)37(45-6)36(35)38/h7-11,14,18-20,22,28-29H,12-13,15-17,21H2,1-6H3

InChIKey: IAFYZOROUCWFHK-UHFFFAOYSA-N

Reference

New Alkaloids From Berberis orthobotrys

PubChem CID: 193238

CAS: 36506-66-8

LOTUS: LTS0262574

NPASS: NPC305420

COCONUT: CNP0248997.4

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 julianae	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: 622.7620000000001

TPSA？: 69.7

MolLogP？: 5.765000000000006

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi