Echinophyllin A; 15-Oxo
AlkaPlorer ID: AK297233
Synonym: 15-Oxoechinophyllin A
IUPAC Name: 5-[2-[1-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxopyrrol-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Structure
SMILES: CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC1=CC(=O)N(CCC2=CC=C(O)C=C2)C1=O
InChI: InChI=1S/C28H35NO5/c1-18-11-14-28(3)22(26(33)34)5-4-6-23(28)27(18,2)15-12-20-17-24(31)29(25(20)32)16-13-19-7-9-21(30)10-8-19/h5,7-10,17-18,23,30H,4,6,11-16H2,1-3H3,(H,33,34)
InChIKey: RKPIZVKHHGLWAO-UHFFFAOYSA-N
Reference
New clerodane diterpenoids from Casearia sylvestris
PubChem CID: 163068777
LOTUS: LTS0129148
COCONUT: CNP0361065.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Casearia sylvestris | Casearia | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 465.5900000000002
TPSA？: 94.91
MolLogP？: 4.873600000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|