Petisine
AlkaPlorer ID: AK309860
Synonym: 3-Hydroxy-16,28-secosolanid-22(28)-ene-6,23-dione, Petizine
IUPAC Name: 6-[1-(3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethyl]-3-methyl-3,4-dihydro-2H-pyridin-5-one
Structure
SMILES: CC1CN=C(C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CCC23C)C(=O)C1
InChI: InChI=1S/C27H41NO3/c1-15-11-24(31)25(28-14-15)16(2)19-5-6-20-18-13-23(30)22-12-17(29)7-9-27(22,4)21(18)8-10-26(19,20)3/h15-22,29H,5-14H2,1-4H3
InChIKey: AMBQASAUQJDWKU-UHFFFAOYSA-N
Reference
Alkaloids ofPetilium raddeana. V. Structure of petisidinone
PubChem CID: 74038998
LOTUS: LTS0052953
COCONUT: CNP0161572.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria raddeana | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.6290000000003
TPSA？: 66.72999999999999
MolLogP？: 4.871200000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|