3',5'-Dihydroxythalifaboramine
AlkaPlorer ID: AK005212
Synonym: "(+)-3',5'-Dihydroxythalifaboramine"
IUPAC Name: (6aS)-8-[4-[[(1S)-5-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,9-diol
Structure
SMILES: COC1=CC2=C(C[C@H]3C4=C(CCN3C)C(O)=C(OC)C(OC)=C24)C(OC2=CC=C(C[C@H]3C4=CC(OC)=C(OC)C(O)=C4CCN3C)C=C2)=C1O
InChI: InChI=1S/C39H44N2O9/c1-40-14-12-22-24(18-30(46-4)37(47-5)33(22)42)27(40)16-20-8-10-21(11-9-20)50-36-26-17-28-31-23(13-15-41(28)2)34(43)39(49-7)38(48-6)32(31)25(26)19-29(45-3)35(36)44/h8-11,18-19,27-28,42-44H,12-17H2,1-7H3/t27-,28-/m0/s1
InChIKey: FFYNASFFQZNXIU-NSOVKSMOSA-N
Reference
Phenolic aporphine-benzylisoquinoline alkaloids from Thalictrum faberi
PubChem CID: 10723258
LOTUS: LTS0266049
SuperNatural Ⅲ: SN0084678-01
Source
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Properties Information
Molecule Weight: 684.7860000000002
TPSA？: 122.55000000000004
MolLogP？: 6.162500000000009
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 7
Activities Information
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