Ipomeamaronolide

PubChem CID: 101593496

Connections displayed (default: 10).

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Compound Synonyms	Ipomeamaronolide, CHEBI:174519, DTXSID201126938, 92448-61-8, 4-[(2R,5S)-5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-uran-5-one, (2R,5S)-2,3,4,5-Tetrahydro-5-methyl-5-(4-methyl-2-oxopentyl)[2,3a(2)-bifuran]-2a(2)(5a(2)H)-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCCC1C1CCCC1
Deep Smiles	CCCC=O)C[C@]C)CC[C@@H]O5)C=CCOC5=O)))))))))))))C
Heavy Atom Count	19.0
Classyfire Class	Dihydrofurans
Scaffold Graph Node Level	OC1OCCC1C1CCCO1
Classyfire Subclass	Furanones
Isotope Atom Count	0.0
Molecular Complexity	410.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Iupac Name	4-[(2R,5S)-5-methyl-5-(4-methyl-2-oxopentyl)oxolan-2-yl]-2H-furan-5-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	1.6
Gsk 4 400 Rule	True
Molecular Formula	C15H22O4
Scaffold Graph Node Bond Level	O=C1OCC=C1C1CCCO1
Prediction Swissadme	1.0
Inchi Key	WZUJTFLPWFXBST-HIFRSBDPSA-N
Silicos It Class	Soluble
Fcsp3	0.7333333333333333
Logs	-2.519
Rotatable Bond Count	5.0
Logd	2.214
Synonyms	ipomeamaronolide
Esol Class	Soluble
Functional Groups	CC(C)=O, CC1=CCOC1=O, COC
Compound Name	Ipomeamaronolide
Prediction Hob Swissadme	1.0
Exact Mass	266.152
Formal Charge	0.0
Monoisotopic Mass	266.152
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	266.33
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.1503893999999995
Inchi	InChI=1S/C15H22O4/c1-10(2)8-11(16)9-15(3)6-4-13(19-15)12-5-7-18-14(12)17/h5,10,13H,4,6-9H2,1-3H3/t13-,15+/m1/s1
Smiles	CC(C)CC(=O)C[C@@]1(CC[C@@H](O1)C2=CCOC2=O)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	0.0
Egan Rule	True

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125. Outgoing r'ship FOUND_IN to/from Ipomoea Batatas (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729
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Ipomeamaronolide

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Phytochemical Properties

Associated Connections 134

Plant Connections 134