Jervine
AlkaPlorer ID: AK303314
Synonym: 17,23-Epoxy-3-hydroxyveratraman-11-one, 3-Hydroxyjerva-5,12-dien-11-one
IUPAC Name: 3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Structure
SMILES: CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C
InChI: InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3
InChIKey: CLEXYFLHGFJONT-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 425.6130000000002
TPSA？: 58.56
MolLogP？: 4.180900000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 35481.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 13115.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| None | Unchecked | IC50 | 4180.0 | nM | None |
| None | Unchecked | Potency | 2511.9 | nM | None |