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Selina-4(15),7(11)-dien-8-one

PubChem CID: 13986100

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Compound Synonyms Selina-4(15),7(11)-dien-8-one, 54707-47-0, Selina-4(14),7(11)-dien-8-one, SCHEMBL8018870, HY-N8830, MSK176359, AKOS040761387, FS-8200, DA-67530, CS-0149142, EUDESMA-4(14),7(11)-DIEN-8-ONE, Q63398002, Selina-4(15),7(11)-dien-8-oneEUDESMA-4(14),7(11)-DIEN-8-ONE, (4aS,8aR)-8a-methyl-5-methylidene-3-(propan-2-ylidene)-hexahydronaphthalen-2-one, (4aS,8aR)-8a-methyl-5-methylidene-3-propan-2-ylidene-1,4,4a,6,7,8-hexahydronaphthalen-2-one
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 16.0
Isotope Atom Count 0.0
Molecular Complexity 371.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (4aS,8aR)-8a-methyl-5-methylidene-3-propan-2-ylidene-1,4,4a,6,7,8-hexahydronaphthalen-2-one
Prediction Hob 1.0
Xlogp 3.8
Molecular Formula C15H22O
Prediction Swissadme 0.0
Inchi Key NKGSEACIYQINQJ-DZGCQCFKSA-N
Fcsp3 0.6666666666666666
Logs -4.329
Rotatable Bond Count 0.0
Logd 3.868
Compound Name Selina-4(15),7(11)-dien-8-one
Prediction Hob Swissadme 0.0
Exact Mass 218.167
Formal Charge 0.0
Monoisotopic Mass 218.167
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 218.33
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -3.5562079999999994
Inchi InChI=1S/C15H22O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h13H,3,5-9H2,1-2,4H3/t13-,15+/m0/s1
Smiles CC(=C1C[C@H]2C(=C)CCC[C@@]2(CC1=O)C)C
Nring 2.0
Defined Bond Stereocenter Count 0.0

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