Broussoflavan A

PubChem CID: 44257178

Connections displayed (default: 10).

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Compound Synonyms	Broussoflavan A, 6-[(2S)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,4,8-triol, 6-((2S)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,4,8-triol, CHEMBL466162, CHEBI:193255, LMPK12020243, 160262-53-3
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CC(C3CCC4CCCCC4C3)CCC2C1
Deep Smiles	CC=CCcccccc6O))OCCC6O))O))C)C))))))[C@@H]CCccO6)cccc6))O))))))))))))C
Heavy Atom Count	31.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	C1COC2CCC(C3CCC4CCCCC4O3)CC2C1
Classyfire Subclass	Flavans
Isotope Atom Count	0.0
Molecular Complexity	658.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	n.a.
Iupac Name	6-[(2S)-7-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,4,8-triol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	3.9
Gsk 4 400 Rule	False
Molecular Formula	C25H30O6
Scaffold Graph Node Bond Level	c1ccc2c(c1)CCC(c1ccc3c(c1)CCCO3)O2
Prediction Swissadme	1.0
Inchi Key	YJRPYTOREHMPPM-HRRASNIPSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.44
Logs	-2.901
Rotatable Bond Count	3.0
Logd	3.384
Synonyms	broussoflavan a
Esol Class	Moderately soluble
Functional Groups	CC=C(C)C, CO, cO, cOC
Compound Name	Broussoflavan A
Prediction Hob Swissadme	1.0
Exact Mass	426.204
Formal Charge	0.0
Monoisotopic Mass	426.204
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	426.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-5.042407412903226
Inchi	InChI=1S/C25H30O6/c1-13(2)5-9-16-17(19-10-7-14-6-8-15(26)11-20(14)30-19)12-18-22(28)24(29)25(3,4)31-23(18)21(16)27/h5-6,8,11-12,19,22,24,26-29H,7,9-10H2,1-4H3/t19-,22?,24?/m0/s1
Smiles	CC(=CCC1=C(C2=C(C=C1[C@@H]3CCC4=C(O3)C=C(C=C4)O)C(C(C(O2)(C)C)O)O)O)C
Nring	4.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Isoflavonoids

1. Outgoing r'ship FOUND_IN to/from Acalypha Australis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actiniopteris Australis (Plant) Rel Props:Reference:
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4. Outgoing r'ship FOUND_IN to/from Artocarpus Altilis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artocarpus Chama (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Artocarpus Communis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artocarpus Dadah (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artocarpus Gomezianus (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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13. Outgoing r'ship FOUND_IN to/from Artocarpus Integer (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Artocarpus Nobilis (Plant) Rel Props:Reference:
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23. Outgoing r'ship FOUND_IN to/from Boswellia Papyrifera (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Broussonetia Kazinoki (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
26. Outgoing r'ship FOUND_IN to/from Celtis Australis (Plant) Rel Props:Reference:
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34. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Morus Australis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
36. Outgoing r'ship FOUND_IN to/from Morus Bombycis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Morus Cathayana (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Morus Indica (Plant) Rel Props:Reference:
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45. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Osmanthus Heterophyllus (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Phragmites Australis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Pteris Australis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Raoulia Australis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Typha Australis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Utricularia Australis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Vittadinia Australis (Plant) Rel Props:Reference:

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Broussoflavan A

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Phytochemical Properties

Associated Connections 52

Plant Connections 52