(Q82905042)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1S)-5-[3-[4-[(1S)-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

1 reference

based on heuristic

inferred from SMILES

mass

756.341066496 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₄₈N₂O₈

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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(NC8C)C)CC(NC2C)C

0 references

found in taxon

Ancistrocladus abbreviatus

2 references

stated in

Anti-HIV michellamines from Ancistrocladus korupensis

stated in

Atrop-diastereomer separation by racemate resolution techniques: N-methyl-dioncophylline A and its 7-epimer from Ancistrocladus abbreviatus

Ancistrocladus korupensis

2 references

stated in

Atrop-diastereomer separation by racemate resolution techniques: N-methyl-dioncophylline A and its 7-epimer from Ancistrocladus abbreviatus

stated in

Notes on Economic Plants

Identifiers

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

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InChIKey

GMLBVLXDRNJFGR-UHFFFAOYSA-N

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CAS Registry Number

137793-81-8

1 reference

InChIKey

GMLBVLXDRNJFGR-UHFFFAOYSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=137793-81-8

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GMLBVLXDRNJFGR-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

GMLBVLXDRNJFGR-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID50216371

0 references

Human Metabolome Database ID

HMDB0242626

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GMLBVLXDRNJFGR-UHFFFAOYSA-N

(Q82905042)

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

Statements

Identifiers

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