Andrographin

PubChem CID: 5318506

Connections displayed (default: 10).

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Compound Synonyms	Andrographin, 1165-40-8, 5-hydroxy-7,8,2'-trimethoxyflavone, Skullcapflavone I 2'-methyl ether, 5-Hydroxy-2',7,8-trimethoxyflavone, 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)chromen-4-one, SCHEMBL6069963, DTXSID901317877, 5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one, LMPK12111316, XH161940, 5-Hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one, 2'-O-Methylskullcapflavone I, Andrographin
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	74.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class	Flavones
Deep Smiles	COcccccc6ccc=O)cco6)cOC))ccc6O)))OC
Heavy Atom Count	24.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass	O-methylated flavonoids
Isotope Atom Count	0.0
Molecular Complexity	490.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	5-hydroxy-7,8-dimethoxy-2-(2-methoxyphenyl)chromen-4-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	3.3
Gsk 4 400 Rule	True
Molecular Formula	C18H16O6
Scaffold Graph Node Bond Level	O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	AJMNTEFGXPRZHG-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1666666666666666
Logs	-4.165
Rotatable Bond Count	4.0
Logd	2.934
Synonyms	andrographin, andrographin (a monohydroxy trimethylflavone), flavone, 5-hydroxy-2',7,8-trimethoxy
Esol Class	Moderately soluble
Functional Groups	c=O, cO, cOC, coc
Compound Name	Andrographin
Prediction Hob Swissadme	0.0
Exact Mass	328.095
Formal Charge	0.0
Monoisotopic Mass	328.095
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	328.3
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	-3.679917333333333
Inchi	InChI=1S/C18H16O6/c1-21-13-7-5-4-6-10(13)14-8-11(19)16-12(20)9-15(22-2)17(23-3)18(16)24-14/h4-9,20H,1-3H3
Smiles	COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Flavonoids

1. Outgoing r'ship FOUND_IN to/from Acalypha Paniculata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Acmella Paniculata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Acypha Paniculata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Afraegle Paniculata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Andrographis Alata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Andrographis Atropurpurea (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Andrographis Echioides (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Andrographis Elongata (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Andrographis Herba (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Andrographis Lineata (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Andrographis Macrobotrys (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Andrographis Nallamalayana (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Andrographis Neesiana (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
15. Outgoing r'ship FOUND_IN to/from Andrographis Serpyllifolia (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Andrographis Viscosula (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Ardisia Paniculata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Cassine Paniculata (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Coussarea Paniculata (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Crotalaria Paniculata (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Dalbergia Lanceolaria (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Dbergia Paniculata (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Diospyros Paniculata (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Erycibe Paniculata (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Flemingia Paniculata (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Gymnacranthera Paniculata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Hydrangea Paniculata (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Ipomoea Paniculata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Jacquemontia Paniculata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Koelreuteria Paniculata (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Meconopsis Paniculata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Microcos Paniculata (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Onosma Paniculata (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Ostodes Paniculata (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Oxyspora Paniculata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Porana Paniculata (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Sasa Paniculata (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Spilanthes Paniculata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Stevia Paniculata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Symplocos Paniculata (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Wendlandia Paniculata (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 46

Plant Connections 46