Phytochemical: Octadecanoic 1-14C acid

Connections displayed (default: 10).

Loading graph...

Compound Synonyms	Octadecanoic 1-14C acid, 638-64-2, (114C)octadecanoic acid, Stearic-1-14C-acid, Stearic acid-carboxy-14C, (1-~14~C)Octadecanoic acid, SCHEMBL7215228, DTXSID90980367
Prediction Swissadme	0.0
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1.0
Inchi Key	QIQXTHQIDYTFRH-GTFORLLLSA-N
Fcsp3	0.9444444444444444
Rotatable Bond Count	16.0
Heavy Atom Count	20.0
Compound Name	Octadecanoic 1-14C acid
Prediction Hob Swissadme	0.0
Exact Mass	286.275
Formal Charge	0.0
Monoisotopic Mass	286.275
Isotope Atom Count	1.0
Molecular Complexity	202.0
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	286.5
Database Name	cmaup_ingredients;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	0.0
Iupac Name	(114C)octadecanoic acid
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Prediction Hob	0.0
Esol	-5.745052700337999
Inchi	InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i18+2
Smiles	CCCCCCCCCCCCCCCCC[14C](=O)O
Xlogp	7.4
Defined Bond Stereocenter Count	0.0
Molecular Formula	C18H36O2

1. Outgoing r'ship FOUND_IN to/from Aristolochia Debilis (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Bupleurum Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients
4. Outgoing r'ship FOUND_IN to/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients
5. Outgoing r'ship FOUND_IN to/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients
6. Outgoing r'ship FOUND_IN to/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients
7. Outgoing r'ship FOUND_IN to/from Gmelina Arborea (Plant) Rel Props:Source_db:cmaup_ingredients

GRAYU Website