Isomurralonginol acetate

PubChem CID: 13917402

Connections displayed (default: 10).

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Compound Synonyms	Isomurralonginol acetate, 139115-59-6, [2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] acetate, starbld0000803, PFA11559, AKOS032948242, FS-9368, CS-0024313, 2-(7-METHOXY-2-OXOCHROMEN-8-YL)-3-METHYLBUT-3-EN-1-YL ACETATE
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2CCCCC2C1
Np Classifier Class	Simple coumarins
Deep Smiles	COcccccc6CC=C)C))COC=O)C))))))oc=O)cc6
Heavy Atom Count	22.0
Classyfire Class	Coumarins and derivatives
Scaffold Graph Node Level	OC1CCC2CCCCC2O1
Isotope Atom Count	0.0
Molecular Complexity	481.0
Database Name	imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	[2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] acetate
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	3.3
Gsk 4 400 Rule	True
Molecular Formula	C17H18O5
Scaffold Graph Node Bond Level	O=c1ccc2ccccc2o1
Inchi Key	KJRYZFDEVYMOEY-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Rotatable Bond Count	6.0
Synonyms	isomurralonginol acetate
Esol Class	Soluble
Functional Groups	C=C(C)C, COC(C)=O, c=O, cOC, coc
Compound Name	Isomurralonginol acetate
Exact Mass	302.115
Formal Charge	0.0
Monoisotopic Mass	302.115
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	302.32
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Inchi	InChI=1S/C17H18O5/c1-10(2)13(9-21-11(3)18)16-14(20-4)7-5-12-6-8-15(19)22-17(12)16/h5-8,13H,1,9H2,2-4H3
Smiles	CC(=C)C(COC(=O)C)C1=C(C=CC2=C1OC(=O)C=C2)OC
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Coumarins

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 Paniculata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ardisia Paniculata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Cassine Paniculata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Coussarea Paniculata (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Crotalaria Paniculata (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Dalbergia Lanceolaria (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Dbergia Paniculata (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Diospyros Paniculata (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Erycibe Paniculata (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Flemingia Paniculata (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Gymnacranthera Paniculata (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Hydrangea Paniculata (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Ipomoea Paniculata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Jacquemontia Paniculata (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Koelreuteria Paniculata (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Meconopsis Paniculata (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Microcos Paniculata (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Murraya Alata (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Murraya Crenulata (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Murraya Elongata (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Murraya Euchrestifolia (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Murraya Exotica (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Murraya Kwangsiensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Murraya Microphylla (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Source_db:npass_chem_all
32. Outgoing r'ship FOUND_IN to/from Murraya Siamensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Onosma Paniculata (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Ostodes Paniculata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Oxyspora Paniculata (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Porana Paniculata (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Sasa Paniculata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Spilanthes Paniculata (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Stevia Paniculata (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Symplocos Paniculata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Wendlandia Paniculata (Plant) Rel Props:Reference:

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Isomurralonginol acetate

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Phytochemical Properties

Associated Connections 44

Plant Connections 44