2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one

PubChem CID: 10052458

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL453028
Topological Polar Surface Area	78.1
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	39.0
Isotope Atom Count	0.0
Molecular Complexity	926.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one
Prediction Hob	1.0
Xlogp	6.2
Molecular Formula	C33H30O6
Prediction Swissadme	0.0
Inchi Key	TZBPQIOKLWLNNI-JLHYYAGUSA-N
Fcsp3	0.1818181818181818
Logs	-5.636
Rotatable Bond Count	9.0
Logd	4.257
Compound Name	2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one
Prediction Hob Swissadme	0.0
Exact Mass	522.204
Formal Charge	0.0
Monoisotopic Mass	522.204
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	522.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	1.0
Esol	-6.82206293846154
Inchi	InChI=1S/C33H30O6/c1-36-29-20-28-25(18-27(29)35)32(23-14-8-5-9-15-23)30(39-28)17-24-21-33(38-3,31(37-2)19-26(24)34)16-10-13-22-11-6-4-7-12-22/h4-15,18-21,35H,16-17H2,1-3H3/b13-10+
Smiles	COC1=CC(=O)C(=CC1(C/C=C/C2=CC=CC=C2)OC)CC3=C(C4=CC(=C(C=C4O3)OC)O)C5=CC=CC=C5
Nring	5.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Asparagus Cochinchinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Buchanania Cochinchinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Dalbergia Assamica (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Dalbergia Candenatensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Dalbergia Cearensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Dalbergia Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
7. Outgoing r'ship FOUND_IN to/from Dalbergia Congestiflora (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Dalbergia Cultrata (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Dalbergia Ecastaphyllum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Dalbergia Ferruginea (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Dalbergia Frutescens (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Dalbergia Horrida (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Dalbergia Hupeana (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Dalbergia Lanceolaria (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Dalbergia Latifolia (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Dalbergia Louvelii (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Dalbergia Melanoxylon (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Dalbergia Miscolobium (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Dalbergia Monetaria (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Dalbergia Nigra (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Dalbergia Nitidula (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Dalbergia Odorifera (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Dalbergia Oliveri (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Dalbergia Oogeinensis (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Dalbergia Parviflora (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Dalbergia Pervillei (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Dalbergia Riparia (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Dalbergia Rubiginosa (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Dalbergia Sericea (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Dalbergia Sisso (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Dalbergia Sissoides (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Dalbergia Sissoo (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Dalbergia Spinosa (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Dalbergia Spruceana (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Dalbergia Stevensonii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Dalbergia Stipulacea (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Dalbergia Variabilis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Dalbergia Volubilis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Desmos Cochinchinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Dracaena Cochinchinensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Excoecaria Cochinchinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Glycosmis Cochinchinensis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Homalium Cochinchinensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Maclura Cochinchinensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Macrosolen Cochinchinensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Melodinus Cochinchinensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Momordica Cochinchinensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Mucuna Cochinchinensis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Stemona Cochinchinensis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Symplocos Cochinchinensis (Plant) Rel Props:Reference:

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2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one

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Phytochemical Properties

Associated Connections 50

Plant Connections 50