Michellamines; (1R,1'''S,3R,3'''R,5Saxial,5'''Saxial)-form
AlkaPlorer ID: AK306422
Synonym: Michellamine A2
IUPAC Name: 5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Structure
SMILES: COC1=CC(C)=CC2=C(C3=C(O)C=C(O)C4=C3CC(C)NC4C)C=C(C3=CC(C4=C(O)C=C(O)C5=C4CC(C)NC5C)=C4C=C(C)C=C(OC)C4=C3O)C(O)=C12
InChI: InChI=1S/C46H48N2O8/c1-19-9-25-27(41-31-13-21(3)47-23(5)39(31)33(49)17-35(41)51)15-29(45(53)43(25)37(11-19)55-7)30-16-28(26-10-20(2)12-38(56-8)44(26)46(30)54)42-32-14-22(4)48-24(6)40(32)34(50)18-36(42)52/h9-12,15-18,21-24,47-54H,13-14H2,1-8H3
InChIKey: GMLBVLXDRNJFGR-UHFFFAOYSA-N
Reference
Anti-HIV Michellamines from Ancistrocladus korupensis
PubChem CID: 4185
CAS: 137893-48-2
LOTUS: LTS0161037
COCONUT: CNP0168638.2
Source
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Properties Information
Molecule Weight: 756.8960000000001
TPSA？: 163.9
MolLogP？: 9.052040000000002
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 8
Activities Information
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