(Q72461464)

English

Daurisoline

chemical compound

(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

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Statements

instance of

type of chemical entity

0 references

subclass of

isoquinoline alkaloid

0 references

mass

610.304287064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₂N₂O₆

0 references

canonical SMILES

OC1=CC=C(C=C1OC2=CC=C(C=C2)CC3C4=CC(OC)=C(OC)C=C4CCN3C)CC5C6=CC(O)=C(OC)C=C6CCN5C

0 references

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)O)O)OC)OC

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found in taxon

Menispermum dauricum

1 reference

stated in

Dauricoside, a new glycosidal alkaloid having an inhibitory activity against blood-platelet aggregation

Hubera nitidissima

1 reference

stated in

[Alkaloids from annonaceae.].

Identifiers

InChI

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

0 references

InChIKey

BURJAQFYNVMZDV-FIRIVFDPSA-N

0 references

CAS Registry Number

70553-76-3

1 reference

InChIKey

BURJAQFYNVMZDV-FIRIVFDPSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=70553-76-3

PubChem CID

51106

1 reference

matched by identifier from

InChIKey

BURJAQFYNVMZDV-FIRIVFDPSA-N

ChEBI ID

184038

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

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

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

BURJAQFYNVMZDV-FIRIVFDPSA-N

DSSTOX compound identifier

DTXCID70143332

0 references

EC number

683-239-9

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.208.746

retrieved

29 December 2019

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 70553-76-3 (English)

ECHA Substance Infocard ID

100.208.746

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.208.746

retrieved

29 December 2019

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 70553-76-3 (English)

Probes And Drugs ID

PD078386

0 references

(Q72461464)

Daurisoline

Statements

Identifiers

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