(4aR,5S,6R,8aR)-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
AlkaPlorer ID: AK268297
Synonym: None
IUPAC Name: (4aR,5S,6R,8aR)-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: C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(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)/t18-,23-,27+,28+/m1/s1
InChIKey: RKPIZVKHHGLWAO-UGSMBUAFSA-N
Reference
New clerodane diterpenoids from Casearia sylvestris
PubChem CID: 163068778
LOTUS: LTS0001465
SuperNatural Ⅲ: SN0327968-01
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 |
|---|