ISOGUANOSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H13N5O5
Molecular Weight	283.2407
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC(=O)N1

InChI

InChIKey=MIKUYHXYGGJMLM-UUOKFMHZSA-N

InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C10H13N5O5
Molecular Weight	283.2407
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Adenosine A1 receptor 54 Target ID: CHEMBL226 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2754691	Agonist 2752		94.0 nM [Ki]
Adenosine A2 receptor 9 Target ID: CHEMBL2094257 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2754691	Agonist 2752		330.0 nM [Ki]

PubMed

Title	Date	PubMed
Crotonoside exhibits selective post-inhibition effect in AML cells via inhibition of FLT3 and HDAC3/6.	2017-11-28	29262547

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:04:03 GMT 2025` Edited by `admin` on `Tue Apr 01 20:04:03 GMT 2025`
Record UNII	6V7FTE1Z1V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-12161

Preferred Name

English

ISOGUANOSINE

Common Name

English

ISOGUANINE RIBOSIDE

Common Name

English

2,3-DIHYDRO-2-OXOADENOSINE

Systematic Name

English

2-HYDROXYADENOSINE

Common Name

English

ADENOSINE, 1,2-DIHYDRO-2-OXO-

Systematic Name

English

9H-PURIN-2-OL, 6-AMINO-9-.BETA.-D-RIBOFURANOSYL-(6C

Systematic Name

English

ADENOSINE, 2,3-DIHYDRO-2-OXO-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70939474