1,3-Dihydro-3-(3-methyl-2-butenylidene)-2H-indol-2-one; (Z)-form
AlkaPlorer ID: AK295885
Synonym: None
IUPAC Name: (3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
Structure
SMILES: CC(C)=C/C=C1/C(O)=NC2=CC=CC=C12
InChI: InChI=1S/C13H13NO/c1-9(2)7-8-11-10-5-3-4-6-12(10)14-13(11)15/h3-8H,1-2H3,(H,14,15)/b11-8+
InChIKey: QZLGVPXIVRIGBA-DHZHZOJOSA-N
Reference
The structures of yellow pigments from the rhizomes of Cimicifuga dahurica Maxim.
PubChem CID: 5319526
LOTUS: LTS0025522
SuperNatural Ⅲ: SN0319355-01
NPASS: NPC225312
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Calophyllum inophyllum | Calophyllum | Calophyllaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 199.253
TPSA？: 32.59
MolLogP？: 3.637800000000002
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Epoxide hydratase | IC50 | 1000.0 | nM | 10.1016/j.bmcl.2017.02.013 |
| Homo sapiens | Epoxide hydratase | Inhibition | 95.1 | % | 10.1016/j.bmcl.2017.02.013 |
| Homo sapiens | Epoxide hydratase | Inhibition | nan | % | 10.1016/j.bmcl.2017.02.013 |