4-Hydroxy-2-pentenoic acid gamma-lactone
PubChem CID: 11558
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| Compound Synonyms | 591-11-7, 5-Methylfuran-2(5H)-one, 5-Methyl-2(5H)-furanone, 2-methyl-2H-furan-5-one, beta-Angelica lactone, 2-Penten-4-olide, 2(5H)-FURANONE, 5-METHYL-, Angelica lactone, beta-angelicalactone, alpha,beta-Angelica lactone, 4-Hydroxy-2-pentenoic acid gamma-lactone, delta1-Angelica lactone, .beta.-Angelica lactone, .alpha.,.beta.-Angelica lactone, NSC 655, 5-methyl-2,5-dihydrofuran-2-one, .DELTA.1-Angelica lactone, delta(sup1)-Angelica lactone, delta(sup 1)-Angelica lactone, gamma-Methyl-alpha,beta-crotonolactone, 4-Hydroxypent-2-enoic acid lactone, beta-Angelicalacton, EINECS 209-700-2, 4-Methyl-2-buten-4-olide, BRN 0108058, 1AX0NCS144, CHEBI:36436, AI3-61052, NSC-655, 4-Hydroxy-2-pentenoic acid .gamma.-lactone, 2-Pentenoic acid, 4-hydroxy-, gamma-lactone, MFCD01725808, Delta(1)-angelica lactone, CCRIS 2925, FEMA NO. 4438, 2-Pentenoic acid, 4-hydroxy-, .gamma.-lactone, DTXSID901014526, .gamma.-Methyl-.DELTA..alpha.,.beta.-butenolide, 4-hydroxy-3-pentenoic acid lactone, 5-17-09-00121 (Beilstein Handbook Reference), EINECS 215-586-5, 2-OXO-5-METHYL-2,5-DIHYDROFURAN, ANGELICA LACTONE .BETA.-FORM [MI], .gamma.-Methyl-.alpha.,.beta.-crotonolactone, 17300-24-2, (+-)-5-Methyl-2(5H)-furanone, UNII-1AX0NCS144, Angelic lactone, D2-Angelica lactone, alpha-Angelic lactone, 2(5H)-Furanone, 5-methyl-, (+-)-, alpha(alpha-Angelica lactone, 5-Methyl-5H-furan-2-one, WLN: T5OV EHJ E1, 70428-45-4, ?,?-ANGELICA LACTONE, 2(5H)-Furanone, 5-methyl, CHEMBL47969, NSC655, .delta.(sup1)-Angelica lactone, CHEBI:36437, FEMA 3293, 2-Pentanoic acid, 4-hydroxy-, gamma-lactone (6CI,7CI), ANGELICA LACTONE BETA-FORM, DTXCID10811048, DTXSID90862255, 5-methylfuran-2(5H)-one, dimer, 2-Pentenoic acid, .gamma.-lactone, laquo deltaRaquo 2-Angelica lactone, NSC11835, BBL102975, NSC-11835, STL556784, AKOS006278741, beta,Laquo gammaRaquo -angelica lactone, SB60927, AS-57863, 4-Hydroxy-2-pentenoic acid, gamma-lactone, 2-Pentenoic acid, -.gamma.-lactone, dimer, DB-155559, CS-0152699, NS00043028, 2-Pentanoic acid, 4-hydroxy-, gamma-lactone, GAMMA-METHYL-DELTAALPHA,BETA-BUTENOLIDE, A10829, EN300-157325, .gamma.-Methyl-.delta.,.alpha.,.beta.-butenolide, 5-Methyl-2(3H)-furanone (alpha -angelicalactone), .beta.(.alpha.,.beta. or .delta.1)-Angelica lactone, 4-Hydroxy-3-pentenoic acid laquo gammaRaquo -lactone, Q27116831, 3-Pentenoic acid, 4-hydroxy-, laquo gammaRaquo -lactone, Penten-3-oic acid, 4-hydroxy-, laquo gammaRaquo -lactone, U6W |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Deep Smiles | CCC=CC=O)O5 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Dihydrofurans |
| Description | Flavouring for baked goods, milk and meat produts |
| Scaffold Graph Node Level | OC1CCCO1 |
| Classyfire Subclass | Furanones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 115.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-2H-furan-5-one |
| Class | Dihydrofurans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Furanones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H6O2 |
| Scaffold Graph Node Bond Level | O=C1C=CCO1 |
| Inchi Key | BGLUXFNVVSVEET-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | &alpha, -angelic lactone, &alpha, -angelica lactone, &alpha, (&alpha, -angelica lactone, &beta, ,«, gamma», -angelica lactone, «, delta», 2-Angelica lactone, 2,3-Dihydro-5-methyl-2-furanone, 2(3H)-Furanone, 5-methyl-, 3-Pentenoic acid, 4-hydroxy-, «, gamma», -lactone, 3-Pentenoic acid, 4-hydroxy-, gamma-lactone, 3-Pentenoic acid, 4-hydroxy-, laquo gammaraquo -lactone, 3-PENTENOIC ACID,4-HYDROXY,LACTONE ALPHA-ANGELICA-LACTONE, 4-Hydroxy-3-pentenoic acid «, gamma», -lactone, 4-Hydroxy-3-pentenoic acid g-lactone, 4-hydroxy-3-pentenoic acid gamma-lactone, 4-hydroxy-3-pentenoic acid lactone, 4-Hydroxy-3-pentenoic acid laquo gammaraquo -lactone, 4-Hydroxy-3-pentenoic acid, gamma-lactone, 4-Hydroxypent-3-enoic acid lactone, 5-Methyl-2(3H)-furanone (&alpha, -angelicalactone), 5-Methyl-2(3H)-furanone (alpha -angelicalactone), 5-Methylfuran-2(3H)-one, a-Angelica lactone, alpha-Angelic lactone, Alpha-angelica lactone, Alpha-angelicalacton, Alpha-angelicalactone, alpha(alpha-Angelica lactone, alpha(beta,gamma or delta2)-Angelica lactone, Angelic lactone, Angelica lactone, Beta,gamma-angelica lactone, beta,Laquo gammaraquo -angelica lactone, D2-Angelica lactone, Delta(2)-angelica lactone, delta(sup 2)-Angelica lactone, FEMA 3293, Gamma-methyl-beta,gamma-crotonolactone, Laquo deltaraquo 2-angelica lactone, Penten-3-oic acid, 4-hydroxy-, «, gamma», -lactone, PENTEN-3-OIC ACID, 4-HYDROXY-, GAMMA-LACTONE, Penten-3-Oic acid, 4-hydroxy-, laquo gammaraquo -lactone, 2-Penten-4-olide, 4-Hydroxy-2-pentenoic acid gamma-lactone, 4-Hydroxypent-2-enoic acid lactone, 5-Methyl-2(5H)-furanone, alpha,beta-Angelica lactone, beta-Angelicalacton, beta-Angelicalactone, Delta(1)-Angelica lactone, gamma-Methyl-alpha,beta-crotonolactone, 4-Hydroxy-2-pentenoate g-lactone, 4-Hydroxy-2-pentenoate gamma-lactone, 4-Hydroxy-2-pentenoate γ-lactone, 4-Hydroxy-2-pentenoic acid g-lactone, 4-Hydroxy-2-pentenoic acid γ-lactone, 4-Hydroxypent-2-enoate lactone, a,b-Angelica lactone, Α,β-angelica lactone, b-Angelicalacton, Β-angelicalacton, b-Angelicalactone, Β-angelicalactone, Δ(1)-angelica lactone, g-Methyl-a,b-crotonolactone, Γ-methyl-α,β-crotonolactone, 2,3-dihydro-5-Methyl-2-furanone, 3-PENTENOIC ACID,4-hydroxy,lactone alpha-angelica-lactone, 4-Hydroxy-3-pentenoic acid gamma-lactone, 4-Hydroxy-3-pentenoic acid lactone, alpha(beta,gamma Or delta2)-angelica lactone, alpha-Angelica lactone, alpha-Angelicalacton, alpha-Angelicalactone, beta,gamma-Angelica lactone, beta,laquo gammaraquo -Angelica lactone, delta(2)-Angelica lactone, gamma-Methyl-beta,gamma-crotonolactone, laquo deltaraquo 2-Angelica lactone, PENTEN-3-OIC ACID, 4-hydroxy-, gamma-lactone, b-Angelica lactone, Β-angelica lactone, Angelica lactone, (alpha)-isomer, Angelica lactone, (beta)-isomer, 5-methyl-2(5h)-furanone (β-angelica lactone), 5-methyl-2-(5h)-furanone |
| Substituent Name | 2-furanone, Alpha,beta-unsaturated carboxylic ester, Enoate ester, Lactone, Carboxylic acid ester, Oxacycle, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic heteromonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | O=C1C=CCO1 |
| Compound Name | 4-Hydroxy-2-pentenoic acid gamma-lactone |
| Kingdom | Organic compounds |
| Exact Mass | 98.0368 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 98.0368 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 98.1 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3 |
| Smiles | CC1C=CC(=O)O1 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Butenolides |
- 1. Outgoing r'ship
FOUND_INto/from Averrhoa Bilimbi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9700533 - 2. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700886