Isojacareubin

PubChem CID: 9996463

Connections displayed (default: 10).

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Compound Synonyms	Isojacareubin, 50597-93-8, 6,10,11-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one, 6,10,11-trihydroxy-3,3-dimethylpyrano(2,3-c)xanthen-7-one, CHEMBL5426411, DTXSID901045703, ACA59793, HY-N8306, AKOS032949139, DA-54425, CS-0142905, AN-706/21186002, 6,10,11-Trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7(3H)-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CCCCC2CC2C3CCCCC3CCC12
Np Classifier Class	Plant xanthones
Deep Smiles	Occcccc6O))occc6=O))cO)ccc6C=CCO6)C)C
Heavy Atom Count	24.0
Classyfire Class	Benzopyrans
Scaffold Graph Node Level	OC1C2CCCCC2OC2C3CCCOC3CCC12
Classyfire Subclass	1-benzopyrans
Isotope Atom Count	0.0
Molecular Complexity	558.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	6,10,11-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	3.4
Gsk 4 400 Rule	True
Molecular Formula	C18H14O6
Scaffold Graph Node Bond Level	O=c1c2ccccc2oc2c3c(ccc12)OCC=C3
Prediction Swissadme	0.0
Inchi Key	FSTNFJKGRSHPBO-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1666666666666666
Logs	-7.052
Rotatable Bond Count	0.0
Logd	4.632
Synonyms	isojacareubin
Esol Class	Moderately soluble
Functional Groups	c=O, cC=CC, cO, cOC, coc
Compound Name	Isojacareubin
Prediction Hob Swissadme	0.0
Exact Mass	326.079
Formal Charge	0.0
Monoisotopic Mass	326.079
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	326.3
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	-4.764351466666666
Inchi	InChI=1S/C18H14O6/c1-18(2)6-5-8-12(24-18)7-11(20)13-14(21)9-3-4-10(19)15(22)17(9)23-16(8)13/h3-7,19-20,22H,1-2H3
Smiles	CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4O)O)O)C
Nring	0.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Xanthones

1. Outgoing r'ship FOUND_IN to/from Aconitum Japonicum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Cercidiphyllum Japonicum (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Chrysosplenium Japonicum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Cinnamomum Japonicum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Cirsium Japonicum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Clerodendrum Japonicum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Conocephalum Japonicum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Crinum Asiaticum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Eupatorium Japonicum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Farfugium Japonicum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Geum Japonicum (Plant) Rel Props:Reference:
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13. Outgoing r'ship FOUND_IN to/from Hypericum Ancherii (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Hypericum Androsaemum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Hypericum Annulatum (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Hypericum Balearicum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Hypericum Calycinum (Plant) Rel Props:Reference:
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23. Outgoing r'ship FOUND_IN to/from Hypericum Choisianum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Hypericum Degenii (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Hypericum Drummondii (Plant) Rel Props:Reference:
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27. Outgoing r'ship FOUND_IN to/from Hypericum Erectum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Hypericum Faberi (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Hypericum Foliosum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Hypericum Geminiflorum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Hypericum Henryi (Plant) Rel Props:Reference:
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33. Outgoing r'ship FOUND_IN to/from Hypericum Hookerianum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Hypericum Humifusum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
36. Outgoing r'ship FOUND_IN to/from Hypericum Jovis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Hypericum Laricifolium (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Hypericum Monanthemum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Hypericum Monogynum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Hypericum Mysorense (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Hypericum Mysurense (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Hypericum Oblongifolium (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Hypericum Olympicum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Hypericum Papuanum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Hypericum Patulum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Hypericum Polyanthemum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Hypericum Prolificum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Hypericum Reflexum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Hypericum Reptans (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Hypericum Revolutum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Hypericum Sampsonii (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Hypericum Scabrum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Hypericum Sikokumontanum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Hypericum Styphelioides (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Hypericum Triquetrifolium (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Hypericum Uralum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Ligustrum Japonicum (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Lycopodium Japonicum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Lygodium Japonicum (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Nuphar Japonicum (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Onychium Japonicum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Peucedanum Japonicum (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Phellodendron Japonicum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Phtheirospermum Japonicum (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Rhododendron Japonicum (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Styphnolobium Japonicum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Tripterospermum Japonicum (Plant) Rel Props:Reference:

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Isojacareubin

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Phytochemical Properties

Associated Connections 68

Plant Connections 68