Cochlioquinone B

PubChem CID: 182083

Connections displayed (default: 10).

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Compound Synonyms	COCHLIOQUINONE B, 32450-26-3, (3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione, CHEMBL2288169, DTXSID401099098, DB-214842, HY-125778, CS-0099322, (3R,4ar,6ar,12ar,12br)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2s,4s)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydrochromeno[6,5-b]chromene-8,11-dione, (3R,4aR,6aR,12aR,12bR)-9-[(1S,3S)-1,3-Dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	34.0
Isotope Atom Count	0.0
Molecular Complexity	973.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Uniprot Id	O46521, n.a.
Iupac Name	(3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione
Prediction Hob	0.0
Xlogp	3.9
Molecular Formula	C28H40O6
Prediction Swissadme	1.0
Inchi Key	NTPNSKLZWVYKGK-WWURSIHSSA-N
Fcsp3	0.75
Logs	-3.852
Rotatable Bond Count	5.0
Logd	3.368
Compound Name	Cochlioquinone B
Prediction Hob Swissadme	0.0
Exact Mass	472.282
Formal Charge	0.0
Monoisotopic Mass	472.282
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	472.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	0.0
Esol	-4.903556400000001
Inchi	InChI=1S/C28H40O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h13,15-16,20-22,32H,8-12,14H2,1-7H3/t15-,16-,20+,21+,22+,27+,28+/m0/s1
Smiles	CC[C@H](C)C(=O)[C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)(CC[C@@H](O4)C(C)(C)O)C)C
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Abies Nigra (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Alpinia Nigra (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Annona Atemoya (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Annona Bullata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Annona Cherimola (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Annona Cherimolia (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Annona Cornifolia (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Annona Haematantha (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Annona Impressivenia (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Annona Montana (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Annona Muricata (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Annona Purpurea (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Annona Rensoniana (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Annona Reticulata (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Annona Stenophylla (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Berberis Lycium (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Brassica Nigra (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Casearia Esculenta (Plant) Rel Props:Reference:
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29. Outgoing r'ship FOUND_IN to/from Centaurea Bruguierana (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Centaurea Cadmea (Plant) Rel Props:Reference:
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32. Outgoing r'ship FOUND_IN to/from Centaurea Cana (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Centaurea Cheiranthifolia (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Centaurea Collina (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Centaurea Corcubionensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Centaurea Cyanus (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Centaurea Dealbata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Centaurea Glastifolia (Plant) Rel Props:Reference:
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47. Outgoing r'ship FOUND_IN to/from Centaurea Nigrescens (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Centaurea Scoparia (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Centaurea Seridis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Centaurea Sinaica (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Centaurea Solstitialis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Centaurea Sonchifolia (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Centaurea Spinosa (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Centaurea Squarrosa (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Centaurea Zuccariniana (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Colocasia Esculenta (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Dalbergia Nigra (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Dianella Nigra (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Echinochloa Esculenta (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Garcinia Esculenta (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Garcinia Morella (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Holigarna Nigra (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Juglans Nigra (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
65. Outgoing r'ship FOUND_IN to/from Lycium Cestroides (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Lycium Europaeum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Lycium Ruthenicum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Manihot Esculenta (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Metrodorea Nigra (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Morchella Esculenta (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Morella Cerifera (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Morella Pensylvanica (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Morella Rubra (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Morus Nigra (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Myrica Esculenta (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Populus Nigra (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Salix Nigra (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Sambucus Nigra (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Schisandra Nigra (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Sinapis Nigra (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Sophora Exigua (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Vernonia Esculenta (Plant) Rel Props:Reference:

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Cochlioquinone B

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Phytochemical Properties

Associated Connections 83

Plant Connections 83