Mannoheptulose

PubChem CID: 12600

Connections displayed (default: 10).

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Compound Synonyms	MANNOHEPTULOSE, 3615-44-9, D-manno-2-Heptulose, D-manno-Heptulose, (+)-Mannoheptulose, Mannoheptulose, D-, (3S,4S,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one, W19YH62373, Mannoketoheptose, manno-2-Heptulose, D-manno-ketoheptose, UNII-W19YH62373, NSC-226836, EINECS 222-795-5, NSC 226836, D-keto-manno-heptulose, AI3-61577, SCHEMBL119659, MANNOHEPTULOSE, (+)-, D-MANNO-HEPTULOSE [MI], CHEBI:78363, DTXSID60879012, HSNZZMHEPUFJNZ-QMTIVRBISA-N, HY-U00462, AKOS030254592, CS-0100954, G79767, Q897649
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	138.0
Hydrogen Bond Donor Count	6.0
Pfizer 3 75 Rule	True
Np Classifier Class	Monosaccharides
Deep Smiles	OC[C@H][C@H][C@@H][C@@H]C=O)CO)))O))O))O))O
Heavy Atom Count	14.0
Classyfire Class	Organooxygen compounds
Classyfire Subclass	Carbohydrates and carbohydrate conjugates
Isotope Atom Count	0.0
Molecular Complexity	183.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(3S,4S,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Xlogp	-3.9
Gsk 4 400 Rule	True
Molecular Formula	C7H14O7
Prediction Swissadme	0.0
Inchi Key	HSNZZMHEPUFJNZ-QMTIVRBISA-N
Silicos It Class	Soluble
Fcsp3	0.8571428571428571
Logs	0.213
Rotatable Bond Count	6.0
Logd	-2.524
Synonyms	d-manno-2-heptulose, l-galacto-2-heptulose, mannoheptulose
Esol Class	Highly soluble
Functional Groups	CC(C)=O, CO
Compound Name	Mannoheptulose
Prediction Hob Swissadme	0.0
Exact Mass	210.074
Formal Charge	0.0
Monoisotopic Mass	210.074
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	210.18
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	1.6846716000000002
Inchi	InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7+/m1/s1
Smiles	C([C@H]([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O)O
Nring	0.0
Np Classifier Biosynthetic Pathway	Carbohydrates
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Saccharides

1. Outgoing r'ship FOUND_IN to/from Aloe (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aloe Abyssinica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aloe Africana (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aloe Arborescens (Plant) Rel Props:Reference:
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6. Outgoing r'ship FOUND_IN to/from Aloe Barbadensis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aloe Christianii (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Aloe Deltoideodonta (Plant) Rel Props:Reference:
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10. Outgoing r'ship FOUND_IN to/from Aloe Indica (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Aloe Littoralis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Aloe Marlothii (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
14. Outgoing r'ship FOUND_IN to/from Aloe Nobilis (Plant) Rel Props:Reference:
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27. Outgoing r'ship FOUND_IN to/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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30. Outgoing r'ship FOUND_IN to/from Clinopodium Vulgare (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Cyathula Prostrata (Plant) Rel Props:Reference:
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37. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
38. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Reference:
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43. Outgoing r'ship FOUND_IN to/from Marrubium Vulgare (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Medicago Sativa (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729
45. Outgoing r'ship FOUND_IN to/from Myricaria Prostrata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Neptunia Prostrata (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Papaver Album (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Papaver Argemone (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Papaver Bracteatum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Papaver Caucasicum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Papaver Commutatum (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Papaver Dubium (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Papaver Fugax (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Papaver Glaucum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Papaver Hybrid (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Papaver Hybridum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Papaver Nudicaule (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Papaver Orientale (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Papaver Persicum (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Papaver Pseudocanescens (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Papaver Radicatum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Papaver Rhoeas (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Papaver Sommiferum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
66. Outgoing r'ship FOUND_IN to/from Papaver Tatricum (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Polypodium Vulgare (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Prunus Prostrata (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Ruellia Prostrata (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Senna Prostrata (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Sorghum Vulgare (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Tripolium Vulgare (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Triticum Vulgare (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Wedelia Prostrata (Plant) Rel Props:Reference:

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Mannoheptulose

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Phytochemical Properties

Associated Connections 75

Plant Connections 75