3-Hydroxythalifaboramine
AlkaPlorer ID: AK006048
Synonym: '(+)-3-Hydroxythalifaboramine'
IUPAC Name: (6aS)-8-[4-[[(1S)-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=C(OC)C=C2C(=C1)CCN(C)[C@H]2CC1=CC=C(OC2=C(O)C(OC)=CC3=C2C[C@H]2C4=C(CCN2C)C(O)=C(OC)C(OC)=C34)C=C1
InChI: InChI=1S/C39H44N2O8/c1-40-14-12-22-17-30(44-3)31(45-4)19-25(22)28(40)16-21-8-10-23(11-9-21)49-37-27-18-29-33-24(13-15-41(29)2)35(42)39(48-7)38(47-6)34(33)26(27)20-32(46-5)36(37)43/h8-11,17,19-20,28-29,42-43H,12-16,18H2,1-7H3/t28-,29-/m0/s1
InChIKey: MNKMMHRKOKPHFM-VMPREFPWSA-N
Reference
Phenolic aporphine-benzylisoquinoline alkaloids from Thalictrum faberi
PubChem CID: 10327115
LOTUS: LTS0211354
Source
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Properties Information
Molecule Weight: 668.7870000000003
TPSA？: 102.32
MolLogP？: 6.456900000000009
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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