scutebarbatine F
AlkaPlorer ID: AK002080
Synonym: 'Scutebarbatine F', '(-)-Scutebarbatine F'
IUPAC Name: [(1S,3S,4aR,5S,6R,6aR,10aS,10bS)-1,5-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)O[C@H]1C[C@]2(COC(=O)C2)O[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(=O)C3=CC=CN=C3)[C@@]3(C)C(C)=CCC[C@@H]3[C@@]12C
InChI: InChI=1S/C30H37NO9/c1-17-9-7-11-21-27(17,4)24(39-26(35)20-10-8-12-31-15-20)25(38-19(3)33)29(6)28(21,5)22(37-18(2)32)13-30(40-29)14-23(34)36-16-30/h8-10,12,15,21-22,24-25H,7,11,13-14,16H2,1-6H3/t21-,22-,24-,25-,27-,28-,29-,30-/m0/s1
InChIKey: PGDYKRFBYIVCFR-VCKVKWFOSA-N
Reference
Four New neo-Clerodane Diterpenoid Alkaloids from Scutellaria barbata with Cytotoxic Activities
PubChem CID: 11664040
LOTUS: LTS0013269
NPASS: NPC317437
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scutellaria barbata | Scutellaria | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 555.6240000000001
TPSA？: 127.32
MolLogP？: 3.717600000000002
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|