(Q82990037)

English

4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-11-(4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

isoquinoline alkaloid

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aporphine alkaloids

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mass

608.288637 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₀N₂O₆

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canonical SMILES

OC1=CC=C2C(=C1OC3=CC=C(C=C3)CC4C5=CC(OC)=C(OC)C=C5CCN4C)C=6C(O)=C(OC)C=C7C6C(N(C)CC7)C2

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isomeric SMILES

CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C(=C(C=C4)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC

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found in taxon

Berberis orthobotrys

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stated in

New Alkaloids From Berberis orthobotrys

Identifiers

InChI

InChI=1S/C37H40N2O6/c1-38-14-12-22-18-30(42-3)31(43-4)20-26(22)27(38)16-21-6-9-25(10-7-21)45-37-29(40)11-8-23-17-28-33-24(13-15-39(28)2)19-32(44-5)36(41)35(33)34(23)37/h6-11,18-20,27-28,40-41H,12-17H2,1-5H3/t27-,28+/m0/s1

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InChIKey

FLWXJOMSSUAZEP-WUFINQPMSA-N

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1 reference

matched by identifier from

InChIKey

FLWXJOMSSUAZEP-WUFINQPMSA-N

1 reference

1 reference

matched by identifier from

InChIKey

FLWXJOMSSUAZEP-WUFINQPMSA-N

DSSTOX compound identifier

DTXCID801424756

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(Q82990037)

4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-11-(4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-

Statements

Identifiers

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