Seneciphylline
Properties
- Molecular formula
- C18H23NO5
- Molar mass
- 333.38 g/mol
- Exact mass
- 333.1576 Da
- Melting point
- −218–217 °C
- logP
- 1.11Crippen estimate
- Polar surface area
- 76.1 Ų
- H-bond donors / acceptors
- 1 / 6
- Rotatable bonds
- 0
- Stereocentres
- R, R, Rin SMILES atom order
- Double bonds
- ZE/Z, in SMILES order
Identifiers
CAS number
480-81-9SMILES
C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23InChIKey
FCEVNJIUIMLVML-QPSVUOIXSA-NInChI
InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, (3Z,6R,14aR,14bR)-
- Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-
- (3Z,6R,14aR,14bR)-3-Ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
- Jacodine
- [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, [6R-(3Z,6R*,14aR*,14bR*)]-
- Seneciphyllin
- Seneciophylline
- α-Longilobine
- NSC 30622
Work with Seneciphylline
Similar compounds
Acetylseneciphylline90341-45-071 % similar
Senecionine130-01-865 % similar
Seneciphylline N-oxide38710-26-862 % similar
Monocrotaline315-22-048 % similar
Acetylseneciphylline N-oxide123844-00-844 % similar
Senecionine N-oxide13268-67-239 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds