MetaADEDB 2.0 @ LMMD
tussilagone
(CFUPNMDNSQIWBB-OPSLAZEYSA-N)
Structure
SMILES
CC/C(=C/C(=O)O[C@@H]1C[C@@H](C(C)C)[C@H]2[C@@H](C1=C)CC(=O)[C@@H]2[C@H](OC(=O)C)C)/C
Molecular Formula:
C23H34O5
Molecular Weight:
390.513
Log P:
4.2596
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
0
TPSA:
69.67
CAS Number(s):
104012-37-5
Synonym(s)
1.
tussilagone
2.
(7R,14R)-14-acetoxy-7-((2'E)-3'-methylpent-2'-enoyloxy)-oplopanone
3.
14-acetoxy-7-(3'-ethylcrotonoyloxy)-notonipetranone
4.
14-acetoxy-7B-(3'-ethylcrotonoyloxy)-notonipetranone
5.
L 652469
6.
L-652,469
7.
oplopanone, (7R,14R)-14-acetoxy-7-((2E)-3'-methylpent-2'-enoyloxy)-
External Link(s)
MeSHC054337
PubChem Compound71307581
ZINC87493309
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Colitis30142311CTD
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