Vitexlactam A
AlkaPlorer ID: AK064155
Synonym: None
IUPAC Name: [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-1,2-dihydropyrrol-4-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CCN=C2O)[C@@]2(C)CCCC(C)(C)[C@H]12
InChI: InChI=1S/C22H35NO4/c1-14-13-17(27-15(2)24)18-20(3,4)9-6-10-21(18,5)22(14,26)11-7-16-8-12-23-19(16)25/h8,14,17-18,26H,6-7,9-13H2,1-5H3,(H,23,25)/t14-,17-,18+,21+,22-/m1/s1
InChIKey: LTVWDGPECBUWSM-UJHQHGQKSA-N
Reference
Cartilagineol, the fourth lineage of Laurencia-derived polyhalogenated chamigrene
PubChem CID: 21609581
NPASS: NPC61474
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vitex rotundifolia | Vitex | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 377.5250000000002
TPSA？: 79.12
MolLogP？: 4.198300000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|