Deoxyflindissone

PubChem CID: 70698213

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Deoxyflindissone, 107176-31-8, (5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(3S,5R)-5-(2-methylprop-1-enyl)oxolan-3-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one, 21,23-epoxytirucalla-7,24-diene-3-one, CHEBI:70121, HY-N8915, AKOS040761612, DA-62775, CS-0149363, F92805, Q27138461, (13alpha,14beta,17alpha,20S,23R)-21,23-epoxylanosta-7,24-dien-3-one
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2C(CCC3C2CCC2C(C4CCCC4)CCC23)C1
Np Classifier Class	Lanostane, Tirucallane and Euphane triterpenoids
Deep Smiles	CC=C[C@@H]OC[C@@H]C5)[C@@H]CC[C@][C@@]5C)CC[C@H]C6=CC[C@@H][C@]6C)CCC=O)C6C)C))))))))))))))C))))))))))C
Heavy Atom Count	32.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CCC2C(CCC3C2CCC2C(C4CCOC4)CCC23)C1
Classyfire Subclass	Triterpenoids
Isotope Atom Count	0.0
Molecular Complexity	860.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Iupac Name	(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(3S,5R)-5-(2-methylprop-1-enyl)oxolan-3-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	7.4
Gsk 4 400 Rule	False
Molecular Formula	C30H46O2
Scaffold Graph Node Bond Level	O=C1CCC2C(CC=C3C2CCC2C3CCC2C2CCOC2)C1
Prediction Swissadme	0.0
Inchi Key	WAGHSYJXJAHWPX-LLUYJYKPSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.8333333333333334
Logs	-6.07
Rotatable Bond Count	2.0
Logd	5.41
Synonyms	21,23-epoxytirucalla-7,24-diene-3-one, deoxyflindissone
Esol Class	Poorly soluble
Functional Groups	CC(C)=CC, CC(C)=O, CC=C(C)C, COC
Compound Name	Deoxyflindissone
Prediction Hob Swissadme	0.0
Exact Mass	438.35
Formal Charge	0.0
Monoisotopic Mass	438.35
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	438.7
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-7.071015200000002
Inchi	InChI=1S/C30H46O2/c1-19(2)16-21-17-20(18-32-21)22-10-14-30(7)24-8-9-25-27(3,4)26(31)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,20-23,25H,9-15,17-18H2,1-7H3/t20-,21+,22+,23+,25+,28-,29+,30-/m1/s1
Smiles	CC(=C[C@H]1C[C@H](CO1)[C@@H]2CC[C@]3([C@]2(CC[C@H]4C3=CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C
Nring	5.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Triterpenoids

1. Outgoing r'ship FOUND_IN to/from Artocarpus Altilis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Artocarpus Chama (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artocarpus Champeden (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artocarpus Communis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artocarpus Dadah (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Artocarpus Gomezianus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Artocarpus Heterophyllus (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artocarpus Hirsutus (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artocarpus Incisa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artocarpus Integer (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artocarpus Integra (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Artocarpus Integrifolia (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Artocarpus Lacucha (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Artocarpus Lakoocha (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artocarpus Nobilis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Artocarpus Rigidus (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Artocarpus Styracifolius (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Bauhinia Acuminata (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Bauhinia Championii (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Bauhinia Divaricata (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Bauhinia Ichii (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Bauhinia Malabarica (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Bauhinia Monandra (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Bauhinia Phoenicea (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Bauhinia Purpurea (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Bauhinia Racemosa (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Bauhinia Retusa (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Bauhinia Roxburghiana (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Bauhinia Rufescens (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Bauhinia Scandens (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Bauhinia Semla (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Bauhinia Tomentosa (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Bauhinia Vahlii (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Bauhinia Variagata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Bauhinia Variegata (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Cornus Capitata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
37. Outgoing r'ship FOUND_IN to/from Cornus Controversa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Cornus Kousa (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Cornus Macrophylla (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Cornus Officinalis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Cornus Sanguinea (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Cornus Walteri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
43. Outgoing r'ship FOUND_IN to/from Cuscuta Capitata (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Cyathula Capitata (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Hardenbergia Violacea (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Hyptis Capitata (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Ipomoea Alba (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Ipomoea Aquatica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Ipomoea Arachnosperma (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Ipomoea Argyrophylla (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Ipomoea Asarifolia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Ipomoea Batatas (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Ipomoea Biloba (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Ipomoea Cairica (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Ipomoea Campanulata (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Ipomoea Carnea (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Ipomoea Cheirophylla (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Ipomoea Coccinea (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Ipomoea Coptica (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Ipomoea Cristulata (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Ipomoea Cymosa (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Ipomoea Dasysperma (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Ipomoea Dichroa (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Ipomoea Digitata (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Ipomoea Dumosa (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Ipomoea Eriocarpa (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Ipomoea Fistulosa (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Ipomoea Grandiflora (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Ipomoea Hederacea (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Ipomoea Hederifolia (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Ipomoea Hispida (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Ipomoea Illustris (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Ipomoea Indica (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Ipomoea Involucrata (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Ipomoea Marginata (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Ipomoea Mauritiana (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Ipomoea Maxima (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Ipomoea Muelleri (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Ipomoea Muricata (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Ipomoea Nil (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Ipomoea Obscura (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Ipomoea Paniculata (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Ipomoea Pescaprae (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Ipomoea Petaloidea (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Ipomoea Purga (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Ipomoea Quamoclit (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Ipomoea Reniformis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Ipomoea Reptans (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Ipomoea Rubriflora (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Ipomoea Sepiaria (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Ipomoea Sindica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Ipomoea Staphylina (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Ipomoea Tricolor (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Ipomoea Tridentata (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Ipomoea Turbinata (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Ipomoea Turpethum (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Ipomoea Uniflora (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Ipomoea Violacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
100. Outgoing r'ship FOUND_IN to/from Ipomoea Vitifolia (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Lychnophora Columnaris (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Lychnophora Pinaster (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Malachra Capitata (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Paramignya Monophylla (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042145
105. Outgoing r'ship FOUND_IN to/from Persicaria Capitata (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Schefflera Capitata (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Sterculia Lychnophora (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Tamarix Ericoides (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Thymbra Capitata (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Ziziphora Capitata (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Deoxyflindissone

Graph

Phytochemical Properties

Associated Connections 110

Plant Connections 110