OVATODIOLIDE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24O4
Molecular Weight	328.4022
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C\C(C)=C\[C@@]3([H])OC(=O)C(=C)[C@]3([H])CC\C(C)=C\CCC(=C1)C(=O)O2

InChI

InChIKey=KTYZKXFERQUCPX-SIKGVNBJSA-N

InChI=1S/C20H24O4/c1-12-5-4-6-15-11-16(23-20(15)22)9-13(2)10-18-17(8-7-12)14(3)19(21)24-18/h5,10-11,16-18H,3-4,6-9H2,1-2H3/b12-5+,13-10+/t16-,17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H24O4
Molecular Weight	328.4022
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
reactive oxygen species 8 Target ID: reactive oxygen species Sources: https://www.ncbi.nlm.nih.gov/pubmed/28986085	Activator 1430

PubMed

Title	Date	PubMed
Ovatodiolide isolated from Anisomeles indica induces cell cycle G2/M arrest and apoptosis via a ROS-dependent ATM/ATR signaling pathways.	2018 Jan 15	28986085
Ovatodiolide suppresses inflammatory response in BEAS-2B cells by regulating the CREB/AQP5 pathway, and sensitizes nasopharyngeal carcinoma cells to radiation therapy.	2019 Sep 15	31323224

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:33:40 UTC 2023` Edited by `admin` on `Sat Dec 16 15:33:40 UTC 2023`
Record UNII	641ILF0QGZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OVATODIOLIDE

Official Name

English

AR-100 (OV)

Code

English

(3AS,6E,13S,15E,16AR)-3A,4,5,8,9,13,14,16A-OCTAHYDRO-6,15-DIMETHYL-3-METHYLENE-11H-13,10-METHENOFURO(2,3-F)OXACYCLOPENTADECIN-2,11(3H)-DIONE

Common Name

English

(3E,12E)-3,12-DIMETHYL-8-METHYLENE-6,18-DIOXA-TRICYCLO(14.2.1.0.5,9)NONADECA-3,12,16(19)-TRIENE-7,17-DIONE

Systematic Name

English

AR100DP1

Code

English

AR100

Code

English

NSC-156130

Code

English

11H-13,10-METHENOFURO(2,3-F)OXACYCLOPENTADECIN-2,11(3H)-DIONE, 3A,4,5,8,9,13,14,16A-OCTAHYDRO-6,15-DIMETHYL-3-METHYLENE-, (3AS,6E,13S,15E,16AR)-

Common Name

English

AR-100DP1

Common Name

English

NSC-272353

Code

English

Code System Code Type Description

NSC

272353