Rubilactone

PubChem CID: 132415

Connections displayed (default: 10).

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Compound Synonyms	Rubilactone, 142182-54-5, methyl 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylate, 3'-Carbomethoxy-4'-hydroxynaphtho(1',2'-2,3)pyran-6-one, DTXSID80161966, 2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2-oxo-, methyl ester, CHEMBL502634, DTXCID3084457, SCHEMBL16453602, AKOS040753857, HY-114738, METHYL 6-HYDROXY-2-OXO-2H-BENZO[H]CHROMENE-5-CARBOXYLATE
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1CCC2CCC3CCCCC3C2C1
Np Classifier Class	Simple coumarins
Deep Smiles	COC=O)ccO)cccccc6cc%10ccc=O)o6
Heavy Atom Count	20.0
Classyfire Class	Naphthopyrans
Scaffold Graph Node Level	OC1CCC2CCC3CCCCC3C2O1
Isotope Atom Count	0.0
Molecular Complexity	444.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	methyl 6-hydroxy-2-oxobenzo[h]chromene-5-carboxylate
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	3.2
Gsk 4 400 Rule	True
Molecular Formula	C15H10O5
Scaffold Graph Node Bond Level	O=c1ccc2ccc3ccccc3c2o1
Prediction Swissadme	0.0
Inchi Key	DYHKKGMKQBRCCG-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.0666666666666666
Rotatable Bond Count	2.0
Synonyms	rubilactone
Esol Class	Soluble
Functional Groups	c=O, cC(=O)OC, cO, coc
Compound Name	Rubilactone
Prediction Hob Swissadme	0.0
Exact Mass	270.053
Formal Charge	0.0
Monoisotopic Mass	270.053
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	270.24
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.859088
Inchi	InChI=1S/C15H10O5/c1-19-15(18)12-10-6-7-11(16)20-14(10)9-5-3-2-4-8(9)13(12)17/h2-7,17H,1H3
Smiles	COC(=O)C1=C(C2=CC=CC=C2C3=C1C=CC(=O)O3)O
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Coumarins

1. Outgoing r'ship FOUND_IN to/from Abroma Radix (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Adina Cordifolia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Alchornea Cordifolia (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Atista Radix (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Basella Cordifolia (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Codonopsis Radix (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Echinopsis Radix (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Empetrum Nigrum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Erlangea Cordifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Eucryphia Cordifolia (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Ficus Cordifolia (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Gutenbergia Cordifolia (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Haldina Cordifolia (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Hemerocallis Radix (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Indigofera Cordifolia (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Mentha Cordifolia (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Mikania Cordifolia (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Nephrolepis Cordifolia (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Priva Cordifolia (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Rabia Cordifolia (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Rubia Akane (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Rubia Manjith (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Rubia Oncotricha (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Rubia Schumanniana (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Rubia Schumannina (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Rubia Sikkimensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Rubia Tetragona (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Rubia Tinctorum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Rubia Ustulata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Rubia Wallichiana (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Rubia Yunnanensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Saussurea Cordifolia (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Sida Cordifolia (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Solanum Nigrum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Thladiantha Cordifolia (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Tinospora Cordifolia (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Triumfetta Cordifolia (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Veratrum Album (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Veratrum Californicum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Veratrum Dahuricum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Veratrum Eschscholtzii (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Veratrum Fimbriatum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Veratrum Grandiflorum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Veratrum Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
48. Outgoing r'ship FOUND_IN to/from Veratrum Sabadilla (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Veratrum Stenophyllum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Veratrum Viride (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Viguiera Cordifolia (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 51

Plant Connections 51