Phytochemical: 3-[(1R)-1-methoxyoctadecyl]-5-methylidenefuran-2-one

Connections displayed (default: 10).

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Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	27.0
Isotope Atom Count	0.0
Molecular Complexity	439.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	1.0
Iupac Name	3-[(1R)-1-methoxyoctadecyl]-5-methylidenefuran-2-one
Prediction Hob	0.0
Xlogp	9.4
Molecular Formula	C24H42O3
Prediction Swissadme	0.0
Inchi Key	XJDMUOHWHWKALY-HSZRJFAPSA-N
Fcsp3	0.7916666666666666
Logs	-6.953
Rotatable Bond Count	18.0
Logd	4.26
Compound Name	3-[(1R)-1-methoxyoctadecyl]-5-methylidenefuran-2-one
Prediction Hob Swissadme	0.0
Exact Mass	378.313
Formal Charge	0.0
Monoisotopic Mass	378.313
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	378.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-6.9087014
Inchi	InChI=1S/C24H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26-3)22-20-21(2)27-24(22)25/h20,23H,2,4-19H2,1,3H3/t23-/m1/s1
Smiles	CCCCCCCCCCCCCCCCC[C@H](C1=CC(=C)OC1=O)OC
Nring	1.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aconitum Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients
2. Outgoing r'ship FOUND_IN to/from Artemisia Arbuscula (Plant) Rel Props:Source_db:cmaup_ingredients
3. Outgoing r'ship FOUND_IN to/from Cheilanthes Mysurensis (Plant) Rel Props:Source_db:cmaup_ingredients
4. Outgoing r'ship FOUND_IN to/from Citrus Reshni (Plant) Rel Props:Source_db:cmaup_ingredients
5. Outgoing r'ship FOUND_IN to/from Dacrycarpus Imbricatus (Plant) Rel Props:Source_db:cmaup_ingredients
6. Outgoing r'ship FOUND_IN to/from Lonchocarpus Urucu (Plant) Rel Props:Source_db:cmaup_ingredients
7. Outgoing r'ship FOUND_IN to/from Myristica Argentea (Plant) Rel Props:Source_db:cmaup_ingredients

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