Justicidin F

PubChem CID: 11740369

Connections displayed (default: 10).

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Compound Synonyms	Justicidin F, Taiwanin E methyl ether, 30403-00-0, UNII-T2Y57C9S7P, T2Y57C9S7P, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(8H)-one, 5-(1,3-benzodioxol-5-yl)-9-methoxy-, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(8H)-one, 9-methoxy-5-(3,4-(methylenedioxy)phenyl)-, DTXSID70184487, 9-(1,3-benzodioxol-5-yl)-5-methoxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one, CHEMBL495475, SCHEMBL11954034, DTXCID80106978, BBROIWXMVHRRMJ-UHFFFAOYSA-N, TAIWAN E METHYL ETHER(RG), Q27289591, 5-(1,3-benzodioxol-5-yl)-9-methoxy-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	72.5
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2CC3CC4CCCC4CC3C(C3CCC4CCCC4C3)C12
Np Classifier Class	Arylnaphthalene and aryltetralin lignans
Deep Smiles	COccCOC=O)c5ccc9ccOCOc5c9)))))))))cccccc6)OCO5
Heavy Atom Count	28.0
Classyfire Class	Arylnaphthalene lignans
Scaffold Graph Node Level	OC1OCC2CC3CC4OCOC4CC3C(C3CCC4OCOC4C3)C21
Isotope Atom Count	0.0
Molecular Complexity	626.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a.
Iupac Name	9-(1,3-benzodioxol-5-yl)-5-methoxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lignans, neolignans and related compounds
Xlogp	3.8
Gsk 4 400 Rule	True
Molecular Formula	C21H14O7
Scaffold Graph Node Bond Level	O=C1OCc2cc3cc4c(cc3c(-c3ccc5c(c3)OCO5)c21)OCO4
Prediction Swissadme	0.0
Inchi Key	BBROIWXMVHRRMJ-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.1904761904761904
Logs	-6.388
Rotatable Bond Count	2.0
Logd	3.11
Synonyms	taiwanin e methyl ether
Esol Class	Moderately soluble
Functional Groups	c1cOCO1, cC(=O)OC, cOC
Compound Name	Justicidin F
Prediction Hob Swissadme	0.0
Exact Mass	378.074
Formal Charge	0.0
Monoisotopic Mass	378.074
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	378.3
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	-4.883140342857144
Inchi	InChI=1S/C21H14O7/c1-23-20-12-6-17-16(27-9-28-17)5-11(12)18(19-13(20)7-24-21(19)22)10-2-3-14-15(4-10)26-8-25-14/h2-6H,7-9H2,1H3
Smiles	COC1=C2COC(=O)C2=C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6
Nring	6.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Lignans

1. Outgoing r'ship FOUND_IN to/from Acypha Ciliata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Ajuga Ciliata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Asperugo Procumbens (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Bergenia Ciliata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Boerhavia Procumbens (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Coldenia Procumbens (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Elsholtzia Ciliata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Eragrostis Ciliata (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Flemingia Procumbens (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Harpagophytum Procumbens (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Hypecoum Procumbens (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Justicia Adhatoda (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Justicia Aurea (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Justicia Beddomei (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Justicia Betonica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Justicia Bilvalvis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Justicia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
18. Outgoing r'ship FOUND_IN to/from Justicia Diffusa (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Justicia Gendarussa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Justicia Glauca (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Justicia Hayatai (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Justicia Neck (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Justicia Neesii (Plant) Rel Props:Reference:ISBN:9770972795006
25. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Justicia Procumbens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
27. Outgoing r'ship FOUND_IN to/from Justicia Prostrata (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Justicia Quinqueangularis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Justicia Secunda (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Justicia Simplex (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Justicia Tranquebariensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Justicia Trinervia (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Launaea Procumbens (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Lindernia Ciliata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Mecardonia Procumbens (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Pachysandra Procumbens (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Populus Ciliata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Rhamnus Procumbens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Strobilanthes Ciliata (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Swertia Ciliata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Toona Ciliata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Tridax Procumbens (Plant) Rel Props:Reference:

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Justicidin F

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Phytochemical Properties

Associated Connections 42

Plant Connections 42