Emodic acid

PubChem CID: 361510

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Emodic acid, MLS000876948, 4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid, NSC624610, SMR000440655, 2-Anthracenecarboxylicacid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo-, 4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, Spectrum_000189, SpecPlus_000784, Spectrum2_000421, Spectrum3_001129, Spectrum4_001974, Spectrum5_000645, 4,5,7-Trihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid, BSPBio_002597, KBioGR_002473, KBioSS_000669, DivK1c_006880, SPECTRUM1504060, SPBio_000402, CHEMBL290914, cid_361510, MEGxm0_000113, SCHEMBL5073407, ACon0_001437, ACon1_000410, CHEBI:93655, KBio1_001824, KBio2_000669, KBio2_003237, KBio2_005805, KBio3_002097, ZJXVNNSMRGTDBI-UHFFFAOYSA-N, BDBM115127, HMS2267O14, CCG-38681, AKOS040734875, NSC-624610, SDCCGMLS-0066762.P001, NCGC00095847-01, NCGC00095847-02, NCGC00095847-03, 4,5,7- trihydroxy-2-carboxyanthraquinone, HY-134000, CS-0136365, 4,5,7-trihydroxyanthraquinone-2-carboxylic acid, BRD-K94841585-001-03-6, Q27165344, 4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxylic acid, 4,5,7-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid, 4,5,7-Trihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, 4,5,7-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	132.0
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1C2CCCCC2C(C)C2CCCCC12
Np Classifier Class	Anthraquinones and anthrones
Deep Smiles	OcccO)ccc6)C=O)ccC6=O))cO)ccc6)C=O)O
Heavy Atom Count	22.0
Classyfire Class	Anthracenes
Scaffold Graph Node Level	OC1C2CCCCC2C(O)C2CCCCC12
Classyfire Subclass	Anthracenecarboxylic acids and derivatives
Isotope Atom Count	0.0
Molecular Complexity	516.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P08419, P08246, P00766, P08311, P46063, P27695, Q27686, Q9NUW8, P10636, Q94696, P14618, P51450, P00352, Q962Y6, Q9F4F7, P28482, Q03164, O97447, Q9Y468, P15428, P06746, P08684, O75164, Q16236, Q9UIF8, Q13951, Q9UNA4, P39748, Q9Y253, Q9UBT6, P08659, O94782, P07378, O94925, Q99700, Q14191, Q13526, Q9Y6L6, Q9NPD5, Q8WZA2, Q9NR56, P53350, O95398, P0A0I7
Iupac Name	4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Target Id	NPT47, NPT49, NPT50, NPT51, NPT52, NPT94, NPT282, NPT864, NPT151, NPT59, NPT109
Xlogp	1.9
Gsk 4 400 Rule	True
Molecular Formula	C15H8O7
Scaffold Graph Node Bond Level	O=C1c2ccccc2C(=O)c2ccccc21
Prediction Swissadme	0.0
Inchi Key	ZJXVNNSMRGTDBI-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.0
Logs	-4.162
Rotatable Bond Count	1.0
Logd	1.769
Synonyms	emodic acid
Esol Class	Soluble
Functional Groups	cC(=O)O, cC(c)=O, cO
Compound Name	Emodic acid
Prediction Hob Swissadme	0.0
Exact Mass	300.027
Formal Charge	0.0
Monoisotopic Mass	300.027
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	300.22
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	-3.2234127636363636
Inchi	InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
Smiles	C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)C(=O)O
Nring	3.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Polycyclic aromatic polyketides

1. Outgoing r'ship FOUND_IN to/from Andrographis Neesiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
2. Outgoing r'ship FOUND_IN to/from Chamaecrista Mimosoides (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042084
3. Outgoing r'ship FOUND_IN to/from Coreopsis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
4. Outgoing r'ship FOUND_IN to/from Magnolia Ovata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Phlogacanthus Curviflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
6. Outgoing r'ship FOUND_IN to/from Solanum Acaule (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Solanum Aculeatissimum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Solanum Aculeatum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Solanum Aethiopicum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Solanum Americanum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Solanum Andigena (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Solanum Anguivi (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Solanum Arundo (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Solanum Asperolanatum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Solanum Aviculare (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Solanum Bahamense (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Solanum Berthaultii (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Solanum Boerhaavii (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Solanum Capsicastrum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Solanum Capsicoides (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Solanum Chacoense (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Solanum Chilense (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Solanum Ciliatum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Solanum Coccineum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Solanum Crinitum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Solanum Demissum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Solanum Diflorum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Solanum Dubium (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Solanum Dulcamara (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Solanum Elaeagnifolium (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Solanum Erianthum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Solanum Euacanthum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Solanum Ferox (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Solanum Forskalii (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Solanum Giganteum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Solanum Incanum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Solanum Indicum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Solanum Jacquini (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Solanum Jamaicense (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Solanum Jasminoides (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Solanum Khasianum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Solanum Kurzii (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Solanum Laciniatum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Solanum Lanceolatum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Solanum Lasiocarpum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Solanum Laxum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Solanum Lycoicum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Solanum Lycopersicum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Solanum Mauritianum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Solanum Melongena (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Solanum Myriacanthum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Solanum Nigrum (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Solanum Olgae (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Solanum Platanifolium (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Solanum Pseudocapsicum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Solanum Pseudopersicum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Solanum Pseudoquina (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Solanum Racemigerum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Solanum Sarmentosum (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Solanum Sarrachoides (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Solanum Seaforthianum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Solanum Sisymbrifolium (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Solanum Sisymbriifolium (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Solanum Sodomaeum (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Solanum Sodomeum (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Solanum Spirale (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Solanum Stramoniifolium (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Solanum Sublobatum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Solanum Surattense (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Solanum Toxicarum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Solanum Transcaucasicum (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Solanum Trilobatum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Solanum Tripartitum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Solanum Verbascifolium (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Solanum Viarum (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Solanum Villosum (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Solanum Violaceum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Solanum Virginianum (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Solanum Virginiatum (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Solanum Wrightii (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Solanum Xanthocarpum (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Emodic acid

Graph

Phytochemical Properties

Associated Connections 85

Plant Connections 85