Berkazaphilone B

PubChem CID: 57379197

Connections displayed (default: 10).

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Compound Synonyms	Berkazaphilone B, [(7R,8R,8aR)-8-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate, ((7R,8R,8aR)-8-hydroxy-7-methyl-6-oxo-3-((E)-prop-1-enyl)-8,8a-dihydro-1H-isochromen-7-yl) 2,4-dihydroxy-6-methylbenzoate, (7R,8R,8AR)-8-hydroxy-7-methyl-6-oxo-3-((1E)-prop-1-en-1-yl)-6,7,8,8a-tetrahydro-1H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoic acid, (7R,8R,8AR)-8-hydroxy-7-methyl-6-oxo-3-[(1E)-prop-1-en-1-yl]-6,7,8,8a-tetrahydro-1H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoic acid, CHEMBL2024574, CHEBI:203355
Topological Polar Surface Area	113.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	28.0
Isotope Atom Count	0.0
Molecular Complexity	737.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Uniprot Id	P29466
Iupac Name	[(7R,8R,8aR)-8-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-7-yl] 2,4-dihydroxy-6-methylbenzoate
Prediction Hob	1.0
Xlogp	2.6
Molecular Formula	C21H22O7
Prediction Swissadme	1.0
Inchi Key	JCQWLKQBYHSHOG-NRKPLWJESA-N
Fcsp3	0.3333333333333333
Logs	-2.75
Rotatable Bond Count	4.0
Logd	-0.036
Compound Name	Berkazaphilone B
Prediction Hob Swissadme	1.0
Exact Mass	386.137
Formal Charge	0.0
Monoisotopic Mass	386.137
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	386.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	1.0
Esol	-3.7682514285714293
Inchi	InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m0/s1
Smiles	C/C=C/C1=CC2=CC(=O)[C@]([C@@H]([C@H]2CO1)O)(C)OC(=O)C3=C(C=C(C=C3C)O)O
Nring	3.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Acer Rubrum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Achyranthes Aspera (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Ajuga Parviflora (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aniba Parviflora (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artemisia Parviflora (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Asimina Parviflora (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Bidens Parviflora (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Bruguiera Parviflora (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Centaurea Aspera (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Clibadium Mexiae (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Clibadium Microcephalum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
12. Outgoing r'ship FOUND_IN to/from Clibadium Pentaneuron (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Corallium Rubrum (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Dalbergia Parviflora (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Dioscorea Parviflora (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Echium Rubrum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Ehretia Aspera (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Embelia Parviflora (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Fumaria Parviflora (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Galinsoga Parviflora (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Geijera Parviflora (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Ginsoga Parviflora (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Globularia Alypum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Globularia Davisiana (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Globularia Nudicaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
26. Outgoing r'ship FOUND_IN to/from Glycosmis Parviflora (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Aspera (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Gomophostemma Parviflora (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Gomphostemma Parviflora (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Hedyotis Nudicaulis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Helenium Microcephalum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Helianthus Annuus (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Helianthus Californicus (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Helianthus Canescens (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Helianthus Ciliaris (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Helianthus Divaricatus (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Helianthus Maximiliani (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Helianthus Mollis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Helianthus Niveus (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Helianthus Pumilus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
41. Outgoing r'ship FOUND_IN to/from Helianthus Strumosus (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Helianthus Tuberosus (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Hopea Parviflora (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Hydrangea Aspera (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Jacobaea Nudicaulis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Knema Globularia (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Lagerstroemia Parviflora (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Lagerstromia Parviflora (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Lamprachaenium Microcephalum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Launaea Nudicaulis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Leucas Aspera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
52. Outgoing r'ship FOUND_IN to/from Leucas Cephalotes (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Leucas Cephotes (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Leucas Ephalotes (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Leucas Eriostoma (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Leucas Indica (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Leucas Lanata (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Leucas Lavandulaefolia (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Leucas Lavandulifolia (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Leucas Linifolia (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Leucas Martinicensis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Leucas Neufliseana (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Leucas Stelligera (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Leucas Stricta (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Leucas Urticaefolia (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Leucas Urticifolia (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Leucas Volkensii (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Lilium Rubrum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Malva Parviflora (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Mazus Pumilus (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Mollugo Nudicaulis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Mussaenda Parviflora (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Osbeckia Aspera (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Rhus Parviflora (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Ribes Rubrum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Schkuhria Anthemoidea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
77. Outgoing r'ship FOUND_IN to/from Schkuhria Multiflora (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Schkuhria Pinnata (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Scopolia Parviflora (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Smilax Aspera (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Stemona Cochinchinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Stemona Collinsae (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Stemona Kerrii (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Stemona Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
87. Outgoing r'ship FOUND_IN to/from Stemona Sessilifolia (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Stemona Tuberosa (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Sterblus Aspera (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Sterculia Parviflora (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Trophis Aspera (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Urtica Parviflora (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Vinca Parviflora (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Xylopia Parviflora (Plant) Rel Props:Reference:

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Berkazaphilone B

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Phytochemical Properties

Associated Connections 94

Plant Connections 94