(Q105036082)

English

(2R,4R)-2'-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

isoquinoline alkaloid

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proaporphine alkaloid

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mass

622.304287064 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,4R)-2'-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₃₈H₄₂N₂O₆

0 references

canonical SMILES

O=C1C=CC2(C=C1OC3=CC=C(C=C3)CC4C5=CC(OC)=C(OC)C=C5CCN4C)C=6C(OC)=C(OC)C=C7C6C(N(C)CC7)C2

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isomeric SMILES

COc1cc2c(cc1OC)[C@H](Cc1ccc(OC3=C[C@]4(C=CC3=O)C[C@@H]3c5c(cc(OC)c(OC)c54)CCN3C)cc1)N(C)CC2

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found in taxon

Berberis orthobotrys

1 reference

stated in

New Alkaloids From Berberis orthobotrys

Identifiers

InChI

InChI=1S/C38H42N2O6/c1-39-15-12-24-18-31(42-3)32(43-4)20-27(24)28(39)17-23-7-9-26(10-8-23)46-34-22-38(14-11-30(34)41)21-29-35-25(13-16-40(29)2)19-33(44-5)37(45-6)36(35)38/h7-11,14,18-20,22,28-29H,12-13,15-17,21H2,1-6H3/t28-,29+,38-/m0/s1

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InChIKey

IAFYZOROUCWFHK-MRJRHVCKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IAFYZOROUCWFHK-MRJRHVCKSA-N

(Q105036082)

(2R,4R)-2'-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one

Statements

Identifiers

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