Thalicarpine; O5''-De-Me
AlkaPlorer ID: AK315756
Synonym: Pennsylvanine
IUPAC Name: 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-4-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenol
Structure
SMILES: COC1=C(O)C=C(CC2C3=CC(OC)=C(OC)C=C3CCN2C)C(OC2=CC3=C(C=C2OC)C2=C(OC)C(OC)=CC4=C2C(C3)N(C)CC4)=C1
InChI: InChI=1S/C40H46N2O8/c1-41-11-9-22-16-33(45-4)34(46-5)19-26(22)28(41)14-25-15-30(43)32(44-3)21-31(25)50-36-18-24-13-29-38-23(10-12-42(29)2)17-37(48-7)40(49-8)39(38)27(24)20-35(36)47-6/h15-21,28-29,43H,9-14H2,1-8H3
InChIKey: UJDHNXMYMWDWQG-UHFFFAOYSA-N
Reference
PubChem CID: 308336
CAS: 53466-31-2
LOTUS: LTS0262754
NPASS: NPC279192
COCONUT: CNP0166341.2
Source
Properties Information
Molecule Weight: 682.8140000000001
TPSA？: 91.32
MolLogP？: 6.759900000000008
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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