TUSSILAGONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H34O5
Molecular Weight	390.5139
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC/C(=C(\[H])/C(=O)O[C@]1([H])C[C@@]([H])(C(C)C)[C@@]2([H])[C@@]([H])(CC(=O)[C@]2([H])[C@@]([H])(C)OC(=O)C)C1=C)/C

InChI

InChIKey=CFUPNMDNSQIWBB-UUVDBSHOSA-N

InChI=1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+/t15-,17+,18+,20-,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H34O5
Molecular Weight	390.5139
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
inflammatory response 46 Target ID: GO:0006954 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25091622 \| https://www.ncbi.nlm.nih.gov/pubmed/19800419	Inhibitor 7728
Target ID: VEGFR2 signal pathway Sources: https://www.ncbi.nlm.nih.gov/pubmed/31333473	Inhibitor 7728
Catenin beta-1 3 Target ID: P35222 Gene ID: 1499.0 Gene Symbol: CTNNB1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24269588	Inhibitor 7728

PubMed

Title	Date	PubMed
Tussilagone suppresses colon cancer cell proliferation by promoting the degradation of β-catenin.	2014 Jan 3	24269588
Tussilagone Suppresses Angiogenesis by Inhibiting the VEGFR2 Signaling Pathway.	2019	31333473

Substance Class	Chemical Created by `admin` on `Sat Jun 26 15:04:49 UTC 2021` Edited by `admin` on `Sat Jun 26 15:04:49 UTC 2021`
Record UNII	95N0GBB2SX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TUSSILAGONE

Common Name

English

2-PENTENOIC ACID, 3-METHYL-, 1-(1-(ACETYLOXY)ETHYL)OCTAHYDRO-4-METHYLENE-7-(1-METHYLETHYL)-2-OXO-1H-INDEN-5-YL ESTER, (1S-(1.ALPHA.(S*),3A.BETA.,5.BETA.(E),7.ALPHA.,7A.ALPHA.))-

Common Name

English

2-PENTENOIC ACID, 3-METHYL-, (1S,3AR,5R,7S,7AS)-1-((1R)-1-(ACETYLOXY)ETHYL)OCTAHYDRO-4-METHYLENE-7-(1-METHYLETHYL)-2-OXO-1H-INDEN-5-YL ESTER, (2E)-

Systematic Name

English

L-652469

Code

English

Code System Code Type Description

FDA UNII

95N0GBB2SX

Created by admin on Sat Jun 26 15:04:49 UTC 2021 , Edited by admin on Sat Jun 26 15:04:49 UTC 2021

PRIMARY

CAS

104012-37-5

Created by admin on Sat Jun 26 15:04:49 UTC 2021 , Edited by admin on Sat Jun 26 15:04:49 UTC 2021

PRIMARY

PUBCHEM

13919185

Created by admin on Sat Jun 26 15:04:49 UTC 2021 , Edited by admin on Sat Jun 26 15:04:49 UTC 2021

PRIMARY

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