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Details

Stereochemistry ACHIRAL
Molecular Formula C15H10O5
Molecular Weight 270.2369
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMODIN

SMILES

CC1=CC2=C(C(O)=C1)C(=O)C3=C(C=C(O)C=C3O)C2=O

InChI

InChIKey=RHMXXJGYXNZAPX-UHFFFAOYSA-N
InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

HIDE SMILES / InChI
Molecular Formula C15H10O5
Molecular Weight 270.2369
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:23:01 UTC 2023
Edited
by admin
on Fri Dec 15 15:23:01 UTC 2023
Record UNII
KA46RNI6HN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMODIN
HSDB   INCI   MI  
INCI  
Official Name English
FRANGULA EMODIN
Common Name English
RHEUM EMODIN
Common Name English
EMODIN [INCI]
Common Name English
EMODOL
Common Name English
SCHUTTGELB
Common Name English
NSC-408120
Code English
NSC-622947
Code English
EMODIN [MI]
Common Name English
FRANGULIC ACID
Common Name English
EMODIN [HSDB]
Common Name English
1,3,8-TRIHYDROXY-6-METHYL-9,10-ANTHRACENEDIONE
Systematic Name English
EMODIN [USP-RS]
Common Name English
ARCHIN
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
Code System Code Type Description
PUBCHEM
3220
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
FDA UNII
KA46RNI6HN
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
RS_ITEM_NUM
1235059
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
MERCK INDEX
m4888
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID5025231
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
SMS_ID
100000126306
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
WIKIPEDIA
EMODIN
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
NSC
622947
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
CHEBI
42223
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-258-8
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
NSC
408120
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
MESH
D004642
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
CHEBI
77659
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
HSDB
7093
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
NCI_THESAURUS
C466
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
CAS
518-82-1
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
EVMPD
SUB33038
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
DRUG BANK
DB07715
Created by admin on Fri Dec 15 15:23:01 UTC 2023 , Edited by admin on Fri Dec 15 15:23:01 UTC 2023
PRIMARY
Related Record Type Details
REYNOUTRIA MULTIFLORA ROOT
PARENT -> CONSTITUENT ALWAYS PRESENT
FRANGULA PURSHIANA BARK
PARENT -> CONSTITUENT ALWAYS PRESENT
Related Record Type Details
Structure of .OMEGA.-HYDROXYEMODIN
METABOLITE -> PARENT
Related Record Type Details
Structure of EMODIN
ACTIVE MOIETY
NIH
NCATS
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