(Q83004602)

English

1-[(4-{5-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-hydroxyphenoxy}phenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

610.304287064 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

epi-Temuconine

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based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₂N₂O₆

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canonical SMILES

COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)O)OC

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found in taxon

Hubera nitidissima

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stated in

[Alkaloids from annonaceae.].

Identifiers

InChI

InChI=1S/C37H42N2O6/c1-38-14-12-25-19-34(42-3)33(41)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1

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InChIKey

VMGXSDYPKKPINM-FIRIVFDPSA-N

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1 reference

matched by identifier from

InChIKey

VMGXSDYPKKPINM-FIRIVFDPSA-N

1 reference

1 reference

matched by identifier from

InChIKey

VMGXSDYPKKPINM-FIRIVFDPSA-N

DSSTOX compound identifier

DTXCID601435054

0 references

(Q83004602)

1-[(4-{5-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-hydroxyphenoxy}phenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

Statements

Identifiers

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