U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry UNKNOWN
Molecular Formula C18H18O8
Molecular Weight 362.3307
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SECOSTERIGMATOCYSTIN

SMILES

COC1=CC(O)=C(C(CO)C(O)CO)C2=C1C(=O)C3=C(O2)C=CC=C3O

InChI

InChIKey=WHNAJPFARNBVDZ-UHFFFAOYSA-N
InChI=1S/C18H18O8/c1-25-13-5-10(22)14(8(6-19)11(23)7-20)18-16(13)17(24)15-9(21)3-2-4-12(15)26-18/h2-5,8,11,19-23H,6-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H18O8
Molecular Weight 362.3307
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Cell viability: http://www.ontobee.org/ontology/NCIT?iri=http://purl.obolibrary.org/obo/NCIT_C21099
0.97 µM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:20:47 GMT 2023
Edited
by admin
on Sat Dec 16 11:20:47 GMT 2023
Record UNII
6269305689
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SECOSTERIGMATOCYSTIN
Common Name English
9H-XANTHEN-9-ONE, 4-(2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL)-3,8-DIHYDROXY-1-METHOXY-
Systematic Name English
4-(2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL)-3,8-DIHYDROXY-1-METHOXYXANTHONE
Systematic Name English
Code System Code Type Description
CAS
92484-36-1
Created by admin on Sat Dec 16 11:20:47 GMT 2023 , Edited by admin on Sat Dec 16 11:20:47 GMT 2023
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FDA UNII
6269305689
Created by admin on Sat Dec 16 11:20:47 GMT 2023 , Edited by admin on Sat Dec 16 11:20:47 GMT 2023
PRIMARY
PUBCHEM
24039298
Created by admin on Sat Dec 16 11:20:47 GMT 2023 , Edited by admin on Sat Dec 16 11:20:47 GMT 2023
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