[(3R)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate

PubChem CID: 44144310

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	MLS002472905, CHEMBL1715398, HMS2198C14, NCGC00247453-01, SMR001397016
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	24.0
Isotope Atom Count	0.0
Molecular Complexity	585.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	Q16236, Q96QE3, O89049, Q9NUW8, Q13148, O75874, O95398
Iupac Name	[(3R)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate
Prediction Hob	1.0
Xlogp	3.9
Molecular Formula	C19H20O5
Prediction Swissadme	1.0
Inchi Key	CUKSFECWKQBVED-MRXNPFEDSA-N
Fcsp3	0.3684210526315789
Logs	-4.002
Rotatable Bond Count	3.0
Logd	3.021
Compound Name	[(3R)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate
Prediction Hob Swissadme	1.0
Exact Mass	328.131
Formal Charge	0.0
Monoisotopic Mass	328.131
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	328.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-3.3973901333333343
Inchi	InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m1/s1
Smiles	CC(=CC(=O)O[C@@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Ajuga Australis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Ajuga Bracteosa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Ajuga Chamaepitys (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Ajuga Ciliata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ajuga Decumbens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
7. Outgoing r'ship FOUND_IN to/from Ajuga Forrestii (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Ajuga Genevensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Ajuga Integrifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Ajuga Lupulina (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Ajuga Macrocarpa (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Ajuga Macrosperma (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Ajuga Nipponensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Ajuga Parviflora (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Ajuga Remota (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Ajuga Reptans (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Ajuga Spectabilis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Ajuga Taiwanensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Angelica Anomala (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Angelica Cyclocarpa (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Angelica Furcijuga (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Angelica Genuflexa (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
28. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Angelica Glauca (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Angelica Hirsutiflora (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Angelica Keiskei (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Angelica Lucida (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Angelica Nubigena (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Angelica Pachycarpa (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Angelica Saxatilis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Angelica Sylvestris (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Angelica Taiwaniana (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Angelica Talwaniana (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Angelica Tarokoensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Angelica Tenuissima (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Angelica Ursina (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Arnebia Decumbens (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Clerodendron Fragrans (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Clerodendron Glandulosum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Clerodendron Indicum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Clerodendron Inerme (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Clerodendron Infortunatum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Clerodendron Phlomoides (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Clerodendron Serratum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Clerodendron Viscosum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Clerodendrum Cyrtophyllum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Corbichonia Decumbens (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Corydalis Decumbens (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Entada Gigas (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Rhaphidophora Decursiva (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Urochloa Decumbens (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

[(3R)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate

Graph

Phytochemical Properties

Associated Connections 60

Plant Connections 60