Dihydroactinidiolide, (+/-)-

PubChem CID: 27209

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Compound Synonyms	15356-74-8, DIHYDROACTINIDIOLIDE, 4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one, (+/-)-dihydroactinidiolide, (2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone, 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one, 5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone, BH8469LVA9, MFCD06409997, FEMA NO. 4020, ( inverted exclamation markA)-Dihydroactinidiolide, DIHYDROACTINIDIOLIDE, (+/-)-, 5,6,7,7a-Tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one, Dihydroactinolide, 4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-Benzofuran-2-one, 4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-2(6H)benzofuranone, 4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one, Dihydroactindiolide, (+/-)-(2,6,6,-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID .GAMMA.-LACTONE [FHFI], UNII-BH8469LVA9, EINECS 239-390-4, ( inverted exclamation markA)dihydro actinidiolide, SCHEMBL3503557, CHEMBL2271411, DIHYDROACTINIDIOLIDE [MI], DTXSID00864588, CHEBI:176780, 2-Hydroxy-2,6,6-trimethylcyclohexylideneacetic acid gamma-lactone, BDBM50595063, NSC357087, AKOS015902000, CS-W022041, FD33930, FS-3501, HY-W041301, DA-48596, DA-52539, FD158201, SY113388, NS00051943, 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzouran-2-one, Q27274663, 2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, 2-Hydroxy-2,6,6-trimethylcyclohexylidene-1-acetic acid lactone, 2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-, 2(4H)-Benzofuranone,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (S)-, 4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one #, (+/-)-(2,6,6,-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID GAMMA-LACTONE, (2,6,6-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID .GAMMA.-LACTONE, 4 pound not4 pound not7a-Trimethyl-5 pound not6 pound not7 pound not7a-tetrahydrobenzofuran-2(4H)-one
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	13.0
Description	Dihydroactinidiolide is a member of the class of compounds known as benzofurans. Benzofurans are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Dihydroactinidiolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dihydroactinidiolide is a red fruit, ripe apricot, and woody tasting compound found in coffee and coffee products, fruits, and tea, which makes dihydroactinidiolide a potential biomarker for the consumption of these food products. Dihydroactinidiolide exists in all eukaryotes, ranging from yeast to humans. Dihydroactinidiolide is a volatile terpene. It has a sweet, tea-like odor and is used as a fragrance. Dihydroactinidiolide occurs naturally in black tea, fenugreek, fire ants, mangos, silver vine (Actinidia polygama), and tobacco. It has also been prepared synthetically .
Isotope Atom Count	0.0
Molecular Complexity	288.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
Prediction Hob	1.0
Class	Benzofurans
Xlogp	2.2
Superclass	Organoheterocyclic compounds
Molecular Formula	C11H16O2
Prediction Swissadme	0.0
Inchi Key	IMKHDCBNRDRUEB-UHFFFAOYSA-N
Fcsp3	0.7272727272727273
Logs	-3.114
Rotatable Bond Count	0.0
Logd	2.583
Synonyms	5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone, Dihydroactindiolide, 2-Hydroxy-2,6,6-trimethylcyclohexylidene-1-acetic acid lactone, 4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-one, 4,5,7,7a-tetrahydro-4,4,7a-Trimethyl-2(6H)benzofuranone, 2-Hydroxy-2,6,6-trimethylcyclohexylideneacetic acid gamma-lactone, (S)-5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone, (S)-5,6,7,7Α-tetrahydro-4,4,7α-trimethyl-2(4H)-benzofuranone
Compound Name	Dihydroactinidiolide, (+/-)-
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	180.115
Formal Charge	0.0
Monoisotopic Mass	180.115
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	180.24
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic heteropolycyclic compounds
Esol	-2.3183314
Inchi	InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
Smiles	CC1(CCCC2(C1=CC(=O)O2)C)C
Nring	2.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Benzofurans

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3. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
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80. Outgoing r'ship FOUND_IN to/from Sida Orientalis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
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85. Outgoing r'ship FOUND_IN to/from Tragopogon Orientalis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Trema Orientalis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all
88. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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92. Outgoing r'ship FOUND_IN to/from Triticum Vulgare (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Typha Orientalis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Uncaria Orientalis (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Vismia Orientalis (Plant) Rel Props:Reference:
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97. Outgoing r'ship FOUND_IN to/from Wulfenia Orientalis (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Zosima Orientalis (Plant) Rel Props:Reference:

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Dihydroactinidiolide, (+/-)-

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Phytochemical Properties

Associated Connections 98

Plant Connections 98