(Q104947125)

English

(1R,3S)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methyl-2-naphthyl]-4-hydroxy-5-methoxy-7-methyl-1-naphthyl]-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

N-Methyl Michellamine B

1 reference

based on heuristic

inferred from SMILES

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]-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol

1 reference

based on heuristic

inferred from SMILES

mass

770.35671656 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3R)-5-[3-[4-[(1S,3S)-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]-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₇H₅₀N₂O₈

0 references

canonical SMILES

OC=1C=C(O)C2=C(C1C3=CC(=C(O)C=4C(OC)=CC(=CC34)C)C=5C=C(C=6C=C(C=C(OC)C6C5O)C)C7=C(O)C=C(O)C8=C7CC(N(C)C8C)C)CC(NC2C)C

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isomeric SMILES

COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)cc(-c3cc(-c4c(O)cc(O)c5c4C[C@H](C)N(C)[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12

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found in taxon

Ancistrocladus korupensis

1 reference

stated in

Michellamines D−F, New HIV-Inhibitory Dimeric Naphthylisoquinoline Alkaloids, and Korupensamine E, a New Antimalarial Monomer, from Ancistrocladus korupensis

Identifiers

InChI

InChI=1S/C47H50N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-36(42)52)16-30(46(54)44(26)38(12-20)56-8)31-17-29(27-11-21(2)13-39(57-9)45(27)47(31)55)43-33-15-23(4)49(7)25(6)41(33)35(51)19-37(43)53/h10-13,16-19,22-25,48,50-55H,14-15H2,1-9H3/t22-,23+,24-,25-/m1/s1

0 references

InChIKey

BWDHNUUYBZPQFQ-ZFFYZDHPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BWDHNUUYBZPQFQ-ZFFYZDHPSA-N

1 reference

(Q104947125)

(1R,3S)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methyl-2-naphthyl]-4-hydroxy-5-methoxy-7-methyl-1-naphthyl]-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol

Statements

Identifiers

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