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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 of TUSSILAGONE

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

Targets

Primary TargetPharmacologyConditionPotency
Target ID: VEGFR2 signal pathway
Target ID: P35222
Gene ID: 1499.0
Gene Symbol: CTNNB1
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
Tussilagone suppresses colon cancer cell proliferation by promoting the degradation of β-catenin.
2014 Jan 3
Tussilagone Suppresses Angiogenesis by Inhibiting the VEGFR2 Signaling Pathway.
2019
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
  • Download
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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