Phaseollinisoflavan

PubChem CID: 162412

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Compound Synonyms	Phaseollinisoflavan, Phaseolinisoflavan, (-)-Phaseollinisoflavan, 40323-57-7, Phaseollin (isoflavan), UNII-3A9F71823M, 3A9F71823M, CHEBI:109, DTXSID60193326, 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol, (3,6'-Bi-2H-1-benzopyran)-5',7-diol, 3,4-dihydro-2',2'-dimethyl-, (R)-, (3,6'-BI-2H-1-BENZOPYRAN)-5',7-DIOL, 3,4-DIHYDRO-2',2'-DIMETHYL-, (3R)-, CHEMBL465812, DTXCID70115817, LMPK12080014, Q27105239, (3R)-2',2'-dimethyl-3,4-dihydro-2H,2'H-3,6'-bichromene-5',7-diol
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CC(C3CCC4CCCCC4C3)CCC2C1
Np Classifier Class	Isoflavanones
Deep Smiles	Occcccc6)OC[C@H]C6)cccccc6O))C=CCO6)C)C
Heavy Atom Count	24.0
Classyfire Class	Isoflavonoids
Scaffold Graph Node Level	C1COC2CCC(C3COC4CCCCC4C3)CC2C1
Classyfire Subclass	Pyranoisoflavonoids
Isotope Atom Count	0.0
Molecular Complexity	488.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Iupac Name	6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	3.9
Gsk 4 400 Rule	False
Molecular Formula	C20H20O4
Scaffold Graph Node Bond Level	C1=Cc2cc(C3COc4ccccc4C3)ccc2OC1
Prediction Swissadme	1.0
Inchi Key	UUJBHSNXZMGYBT-ZDUSSCGKSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.3
Logs	-3.651
Rotatable Bond Count	1.0
Logd	3.873
Synonyms	phaseollinisoflavan
Esol Class	Moderately soluble
Functional Groups	cC=CC, cO, cOC
Compound Name	Phaseollinisoflavan
Prediction Hob Swissadme	1.0
Exact Mass	324.136
Formal Charge	0.0
Monoisotopic Mass	324.136
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	324.4
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
Esol	-4.605831200000001
Inchi	InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
Smiles	CC1(C=CC2=C(O1)C=CC(=C2O)[C@H]3CC4=C(C=C(C=C4)O)OC3)C
Nring	4.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Isoflavonoids

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68. Outgoing r'ship FOUND_IN to/from Phaseolus Lunatus (Plant) Rel Props:Reference:
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70. Outgoing r'ship FOUND_IN to/from Phaseolus Semierectus (Plant) Rel Props:Reference:
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73. Outgoing r'ship FOUND_IN to/from Phaseolus Urghii (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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79. Outgoing r'ship FOUND_IN to/from Polypodium Glycyrrhiza (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Pongamia Glabra (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Quamoclit Vulgaris (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Rhus Vulgaris (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Sarcandra Glabra (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Satureja Vulgaris (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
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91. Outgoing r'ship FOUND_IN to/from Striga Asiatica (Plant) Rel Props:Reference:
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93. Outgoing r'ship FOUND_IN to/from Tarenna Asiatica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Tetracera Asiatica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Tilia Vulgaris (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Toddalia Asiatica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Torenia Asiatica (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Ulmus Glabra (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Utricularia Vulgaris (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Waldheimia Glabra (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Zizyphus Vulgaris (Plant) Rel Props:Reference:

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Phaseollinisoflavan

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Phytochemical Properties

Associated Connections 102

Plant Connections 102