(7'S,8'S)-5-demethoxybilagrewin

PubChem CID: 24799853

Connections displayed (default: 10).

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Compound Synonyms	(7'S,8'S)-5-demethoxybilagrewin, (E)-3-((2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enal, (E)-3-[(2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal, CHEMBL255298
Topological Polar Surface Area	94.5
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	27.0
Isotope Atom Count	0.0
Molecular Complexity	497.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Uniprot Id	n.a.
Iupac Name	(E)-3-[(2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
Prediction Hob	1.0
Xlogp	2.0
Molecular Formula	C20H20O7
Prediction Swissadme	0.0
Inchi Key	FDMXJKZGHCAZAI-XCJDPYLSSA-N
Fcsp3	0.25
Logs	-4.324
Rotatable Bond Count	6.0
Logd	2.158
Compound Name	(7'S,8'S)-5-demethoxybilagrewin
Prediction Hob Swissadme	0.0
Exact Mass	372.121
Formal Charge	0.0
Monoisotopic Mass	372.121
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	372.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	1.0
Esol	-3.35420148888889
Inchi	InChI=1S/C20H20O7/c1-24-16-9-13(10-17(25-2)19(16)23)20-18(11-22)26-14-6-5-12(4-3-7-21)8-15(14)27-20/h3-10,18,20,22-23H,11H2,1-2H3/b4-3+/t18-,20-/m0/s1
Smiles	COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)/C=C/C=O)CO
Nring	3.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Abutilon Avicennae (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acutifolium (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Zanthoxylum Americanum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Zanthoxylum Arnottianum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Zanthoxylum Avicennae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Zanthoxylum Belizense (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Zanthoxylum Brachyacanthum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Zanthoxylum Budrunga (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiloperone (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Zanthoxylum Chiriquinum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Zanthoxylum Decaryi (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dipetalum (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Zanthoxylum Dissitum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Zanthoxylum Echinocarpum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Zanthoxylum Elephantiasis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fagara (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Zanthoxylum Flavum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fraxineum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hamiltonianum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Zanthoxylum Hostile (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Zanthoxylum Limonella (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Zanthoxylum Monophyllum (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ocumarense (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Zanthoxylum Oxyphyllum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Zanthoxylum Planispinum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Zanthoxylum Podocarpum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rubescens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Zanthoxylum Simulans (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Zanthoxylum Spinosum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Zanthoxylum Syncarpum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tetraspermum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Zanthoxylum Triphyllum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Zanthoxylum Veneficium (Plant) Rel Props:Reference:

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(7'S,8'S)-5-demethoxybilagrewin

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Phytochemical Properties

Associated Connections 46

Plant Connections 46