2-(2-Acetyl-3,5-Dihydroxyphenyl)Acetic Acid

PubChem CID: 16196973

Connections displayed (default: 10).

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Compound Synonyms	Curvulinic acid, 2-(2-acetyl-3,5-dihydroxyphenyl)acetic acid, 19053-94-2, 2-Acetyl-3,5-dihydroxyphenylacetic acid, MLS000876985, SMR000440630, MEGxm0_000053, CHEMBL1609014, ACon1_002337, BDBM52758, CHEBI:183480, cid_16196973, HMS2271A04, UAA05394, HY-N10260, AKOS040758559, Curvulinic acid, >=95% (LC/MS-UV), NCGC00169941-01, 2-acetyl-3,5-dihydroxyphenyl acetic acid, DA-60094, CS-0182590, 2-(2-acetyl-3,5-dihydroxy-phenyl)acetic acid, 2-[2-ethanoyl-3,5-bis(oxidanyl)phenyl]ethanoic acid, BRD-K29161102-001-01-7
Topological Polar Surface Area	94.8
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	15.0
Isotope Atom Count	0.0
Molecular Complexity	263.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q03164, Q962Y6, Q9XUB2, P06746, G5EF15, Q9UNA4, Q9Y253, Q13526
Iupac Name	2-(2-acetyl-3,5-dihydroxyphenyl)acetic acid
Prediction Hob	1.0
Target Id	NPT1038, NPT59
Xlogp	0.9
Molecular Formula	C10H10O5
Prediction Swissadme	0.0
Inchi Key	JAHPPWGWEUVLMS-UHFFFAOYSA-N
Fcsp3	0.2
Logs	-1.187
Rotatable Bond Count	3.0
Logd	0.639
Compound Name	2-(2-Acetyl-3,5-Dihydroxyphenyl)Acetic Acid
Prediction Hob Swissadme	0.0
Exact Mass	210.053
Formal Charge	0.0
Monoisotopic Mass	210.053
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	210.18
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-1.8081973999999998
Inchi	InChI=1S/C10H10O5/c1-5(11)10-6(3-9(14)15)2-7(12)4-8(10)13/h2,4,12-13H,3H2,1H3,(H,14,15)
Smiles	CC(=O)C1=C(C=C(C=C1O)O)CC(=O)O
Nring	1.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acronychia Muelleri (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actaea Cimicifuga (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients
4. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Boronia Muelleri (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Canarium Muelleri (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Cimicifuga Foetida (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cimicifuga Heracleifolia (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Cimicifuga Japonica (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Cimicifuga Racemosa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Gentiana Dahurica (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Ipomoea Muelleri (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Palafoxia Texana (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Pulsatilla Dahurica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Selaginella Apoda (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Selaginella Braunii (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Selaginella Bryopteris (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Selaginella Chrysocaulos (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Selaginella Davidii (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Selaginella Doederleinii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
22. Outgoing r'ship FOUND_IN to/from Selaginella Involvens (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Selaginella Labordei (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Selaginella Moellendorffii (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Selaginella Monosperma (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Selaginella Omeiensis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Selaginella Pulvinata (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Selaginella Radicata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Selaginella Repanda (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Selaginella Rupestris (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Selaginella Sanguinolenta (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Selaginella Semicordata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Selaginella Stauntoniana (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Selaginella Tamariscina (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Selaginella Uncinata (Plant) Rel Props:Reference:

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2-(2-Acetyl-3,5-Dihydroxyphenyl)Acetic Acid

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Phytochemical Properties

Associated Connections 36

Plant Connections 36