Berkeleyamide A

PubChem CID: 44577362

Connections displayed (default: 10).

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Compound Synonyms	Berkeleyamide A, CHEMBL466565, (3R,5S)-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]-5-(2-methylpropyl)pyrrolidin-2-one, (3R,5S)-3-((1S)-1-hydroxy-3-oxo-4-phenylbutyl)-5-(2-methylpropyl)pyrrolidin-2-one, CHEBI:202178, BDBM50261541, 1019854-19-3
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	22.0
Isotope Atom Count	0.0
Molecular Complexity	388.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Uniprot Id	P29466, P08254
Iupac Name	(3R,5S)-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]-5-(2-methylpropyl)pyrrolidin-2-one
Prediction Hob	1.0
Target Id	NPT277, NPT567
Xlogp	2.6
Molecular Formula	C18H25NO3
Prediction Swissadme	1.0
Inchi Key	KACACYYTPVUKSL-UAGQMJEPSA-N
Fcsp3	0.5555555555555556
Logs	-2.579
Rotatable Bond Count	7.0
Logd	2.736
Compound Name	Berkeleyamide A
Prediction Hob Swissadme	1.0
Exact Mass	303.183
Formal Charge	0.0
Monoisotopic Mass	303.183
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	303.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Esol	-3.1619105818181814
Inchi	InChI=1S/C18H25NO3/c1-12(2)8-14-10-16(18(22)19-14)17(21)11-15(20)9-13-6-4-3-5-7-13/h3-7,12,14,16-17,21H,8-11H2,1-2H3,(H,19,22)/t14-,16+,17-/m0/s1
Smiles	CC(C)C[C@H]1C[C@@H](C(=O)N1)[C@H](CC(=O)CC2=CC=CC=C2)O
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acer Rubrum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Achyranthes Aspera (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Ajuga Parviflora (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aniba Parviflora (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artemisia Parviflora (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Asimina Parviflora (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Bidens Parviflora (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Bruguiera Parviflora (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Centaurea Aspera (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Clibadium Mexiae (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Clibadium Microcephalum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
12. Outgoing r'ship FOUND_IN to/from Clibadium Pentaneuron (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Corallium Rubrum (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Dalbergia Parviflora (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Dioscorea Parviflora (Plant) Rel Props:Reference:
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25. Outgoing r'ship FOUND_IN to/from Globularia Nudicaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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40. Outgoing r'ship FOUND_IN to/from Helianthus Pumilus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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51. Outgoing r'ship FOUND_IN to/from Leucas Aspera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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68. Outgoing r'ship FOUND_IN to/from Lilium Rubrum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Malva Parviflora (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Mazus Pumilus (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Mollugo Nudicaulis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Mussaenda Parviflora (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Osbeckia Aspera (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Rhus Parviflora (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Ribes Rubrum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Schkuhria Anthemoidea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
77. Outgoing r'ship FOUND_IN to/from Schkuhria Multiflora (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Schkuhria Pinnata (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Scopolia Parviflora (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Smilax Aspera (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Stemona Cochinchinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Stemona Collinsae (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Stemona Kerrii (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Stemona Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
87. Outgoing r'ship FOUND_IN to/from Stemona Sessilifolia (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Stemona Tuberosa (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Sterblus Aspera (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Sterculia Parviflora (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Trophis Aspera (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Urtica Parviflora (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Vinca Parviflora (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Xylopia Parviflora (Plant) Rel Props:Reference:

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Berkeleyamide A

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Phytochemical Properties

Associated Connections 94

Plant Connections 94