(1R,4'R)-5-(4-{[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}phenoxy)-10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),2,5,8',10'-pentaen-4-one
AlkaPlorer ID: AK114296
Synonym: None
IUPAC Name: (2R,4R)-2'-[4-[[(1S)-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=CC2=C(C=C1OC)[C@H](CC1=CC=C(OC3=C[C@]4(C=CC3=O)C[C@@H]3C5=C(C=C(OC)C(OC)=C54)CCN3C)C=C1)N(C)CC2
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/t28-,29+,38-/m0/s1
InChIKey: IAFYZOROUCWFHK-MRJRHVCKSA-N
Reference
New Alkaloids From Berberis orthobotrys
PubChem CID: 162977104
LOTUS: LTS0270512
SuperNatural Ⅲ: SN0140252-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis orthobotrys | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 622.7620000000002
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 |
|---|