1-Hydroxy-5,6-dihydrojervine
AlkaPlorer ID: AK016262
Synonym: ''
IUPAC Name: (1R,3R,3'R,3'aS,4aR,6'S,6aS,6bS,7'aR,9R,11aS,11bS)-1,3-dihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Structure
SMILES: CC1=C2C(=O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)C[C@@H](O)[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
InChI: InChI=1S/C27H41NO4/c1-13-9-20-24(28-12-13)15(3)27(32-20)8-7-18-19-6-5-16-10-17(29)11-21(30)26(16,4)23(19)25(31)22(18)14(27)2/h13,15-21,23-24,28-30H,5-12H2,1-4H3/t13-,15+,16+,17+,18-,19-,20+,21+,23+,24-,26+,27-/m0/s1
InChIKey: RGTMFUMMFMNSOX-VXEVWSOGSA-N
Reference
Steroidal Alkaloids from<i>Veratrum nigrum</i>Enhance Glucose Uptake in Skeletal Muscle Cells
PubChem CID: 122178949
LOTUS: LTS0104651
NPASS: NPC478139
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum nigrum | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 443.6280000000002
TPSA？: 78.79
MolLogP？: 3.231600000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 30000.0 | nM | 10.1021/np501049g |