UNPD140227
AlkaPlorer ID: AK334546
Synonym: None
IUPAC Name: [5-hydroxy-7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidene-8,9-dihydro-7H-oxepino[2,3-g][1,3]benzothiazol-9-yl] 2-methylbut-2-enoate
Structure
SMILES: C=C1C2=C3SC=NC3=C(C)C(O)=C2OC(C(C)(C)O)CC1OC(=O)C(C)=CC
InChI: InChI=1S/C21H25NO5S/c1-7-10(2)20(24)26-13-8-14(21(5,6)25)27-18-15(11(13)3)19-16(22-9-28-19)12(4)17(18)23/h7,9,13-14,23,25H,3,8H2,1-2,4-6H3
InChIKey: AONAZOLOPHLZDH-UHFFFAOYSA-N
Reference
Sesquiterpenoids and Lactone Derivatives from <i>Ligularia dentata</i>
PubChem CID: 163095040
LOTUS: LTS0013021
COCONUT: CNP0416337.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia dentata | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 403.50000000000017
TPSA？: 88.88000000000002
MolLogP？: 4.123520000000002
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|