(2R,3S)-4-Methylidene-5-Oxo-2-Propyloxolane-3-Carboxylic Acid

PubChem CID: 21579153

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL217676, (2R,3S)-4-methylidene-5-oxo-2-propyloxolane-3-carboxylic acid, SCHEMBL13535193, CHEBI:190985, EX-A9507, BDBM50467835, MB-3, >=95% (HPLC), NCGC00485267-01, MS-22985, PD165056, HY-129039, CS-0103268, G13512, 3-furancarboxylic acid, tetrahydro-4-methylene-5-oxo-2-propyl-, (2r,3s)-rel-
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	13.0
Isotope Atom Count	0.0
Molecular Complexity	256.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Uniprot Id	Q09472, Q92793, Q92830, Q92831
Iupac Name	(2R,3S)-4-methylidene-5-oxo-2-propyloxolane-3-carboxylic acid
Prediction Hob	1.0
Target Id	NPT443
Xlogp	1.3
Molecular Formula	C9H12O4
Prediction Swissadme	1.0
Inchi Key	SRQUTZJZABSZRQ-RQJHMYQMSA-N
Fcsp3	0.5555555555555556
Logs	-1.884
Rotatable Bond Count	3.0
Logd	1.519
Compound Name	(2R,3S)-4-Methylidene-5-Oxo-2-Propyloxolane-3-Carboxylic Acid
Prediction Hob Swissadme	1.0
Exact Mass	184.074
Formal Charge	0.0
Monoisotopic Mass	184.074
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	184.19
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-1.6029842
Inchi	InChI=1S/C9H12O4/c1-3-4-6-7(8(10)11)5(2)9(12)13-6/h6-7H,2-4H2,1H3,(H,10,11)/t6-,7+/m1/s1
Smiles	CCC[C@@H]1[C@H](C(=C)C(=O)O1)C(=O)O
Nring	1.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acnistus Arborescens (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Alnus Serrulata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aloe Arborescens (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Ambrosia Arborescens (Plant) Rel Props:Reference:
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6. Outgoing r'ship FOUND_IN to/from Artemisia Arborescens (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Caulerpa Serrulata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cratoxylum Arborescens (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Eremophila Serrulata (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Erythrina Arborescens (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Hedyosmum Arborescens (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Heliotropium Arborescens (Plant) Rel Props:Reference:
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14. Outgoing r'ship FOUND_IN to/from Jasminum Arborescens (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Launaea Arborescens (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Mascarenhasia Arborescens (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Phonus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
18. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
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25. Outgoing r'ship FOUND_IN to/from Prunus Davidiana (Plant) Rel Props:Reference:
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29. Outgoing r'ship FOUND_IN to/from Prunus Jacquemontii (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Prunus Laurocerasus (Plant) Rel Props:Reference:
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33. Outgoing r'ship FOUND_IN to/from Prunus Mahaleb (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Prunus Mandshurica (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Prunus Mume (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Prunus Persica (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Prunus Prostrata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Prunus Pseudocerasus (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Prunus Puddum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Prunus Salicina (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Prunus Serotina (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Prunus Serrulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
43. Outgoing r'ship FOUND_IN to/from Prunus Sibirica (Plant) Rel Props:Reference:
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45. Outgoing r'ship FOUND_IN to/from Prunus Tomentosa (Plant) Rel Props:Reference:
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47. Outgoing r'ship FOUND_IN to/from Prunus Verecunda (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Prunus Virginiana (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Prunus Yedoensis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Prunus Zippeliana (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Psorothamnus Arborescens (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Sideritis Arborescens (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Skimmia Arborescens (Plant) Rel Props:Reference:

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(2R,3S)-4-Methylidene-5-Oxo-2-Propyloxolane-3-Carboxylic Acid

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Phytochemical Properties

Associated Connections 53

Plant Connections 53