DINACTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H68O12
Molecular Weight	764.9821
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@]([H])(O1)[C@@H](C)C(=O)O[C@H](CC)C[C@@]3([H])CC[C@]([H])(O3)[C@H](C)C(=O)O[C@@H](C)C[C@]4([H])CC[C@@]([H])(O4)[C@@H](C)C(=O)O[C@H](CC)C[C@@]5([H])CC[C@]([H])(O5)[C@H](C)C(=O)O[C@@H](C)C2

InChI

InChIKey=ZBDGIMZKOJALMU-HXUSMMTHSA-N

InChI=1S/C42H68O12/c1-9-29-21-33-13-17-35(51-33)25(5)39(43)47-24(4)20-32-12-16-38(50-32)28(8)42(46)54-30(10-2)22-34-14-18-36(52-34)26(6)40(44)48-23(3)19-31-11-15-37(49-31)27(7)41(45)53-29/h23-38H,9-22H2,1-8H3/t23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H68O12
Molecular Weight	764.9821
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
cytokine production 4 Target ID: GO:0001816 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10030847	Inhibitor 8297
T cell proliferation 3 Target ID: GO:0042098 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10030847	Inhibitor 8297

PubMed

Title	Date	PubMed
In vitro evaluation of dinactin, a potent microbial metabolite against Mycobacterium tuberculosis.	2019 Jan	30267759

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:38:06 GMT 2023` Edited by `admin` on `Sat Dec 16 12:38:06 GMT 2023`
Record UNII	BEN4Q6B74Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DINACTIN

Common Name

English

NSC-63925

Code

English

4,13,22,31,37,38,39,40-OCTAOXAPENTACYCLO(32.2.1.17,10.116,19.125,28)TETRACONTANE-3,12,21,30-TETRONE, 5,23-DIETHYL-2,11,14,20,29,32-HEXAMETHYL-, (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-

Systematic Name

English

Code System Code Type Description

CAS

101975-71-7