scutebarbatine G
AlkaPlorer ID: AK002154
Synonym: 'Scutebarbatine G', '(-)-Scutebarbatine G'
IUPAC Name: [(1S,3R,4aR,5S,6R,6aR,10aS,10bS)-5,6-dihydroxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-1-yl] pyridine-3-carboxylate
Structure
SMILES: CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)[C@H](O)[C@]1(C)O[C@]3(COC(=O)C3)C[C@H](OC(=O)C3=CC=CN=C3)[C@]21C
InChI: InChI=1S/C26H33NO7/c1-15-7-5-9-17-23(15,2)20(29)21(30)25(4)24(17,3)18(11-26(34-25)12-19(28)32-14-26)33-22(31)16-8-6-10-27-13-16/h6-8,10,13,17-18,20-21,29-30H,5,9,11-12,14H2,1-4H3/t17-,18-,20-,21-,23-,24-,25-,26+/m0/s1
InChIKey: DKZZSXIGMYMOLZ-RRIDORABSA-N
Reference
Two new cytotoxic<i>ent</i>-clerodane diterpenoids from<i>Scutellaria barbata</i>
PubChem CID: 49788699
LOTUS: LTS0039379
SuperNatural Ⅲ: SN0068591-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scutellaria barbata | Scutellaria | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 471.5500000000003
TPSA？: 115.18000000000002
MolLogP？: 2.5760000000000005
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|