Maculosin

PubChem CID: 119404

Connections displayed (default: 10).

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Compound Synonyms	Maculosin, Cyclo(L-pro-L-tyr), 4549-02-4, (3s,8as)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cyclo(-Pro-Tyr), CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR, Cyclo(L-prolinyl-L-tyrosine), CHEBI:6631, (3S,8aS)-3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, (3S,8AR)-3-(4-HYDROXYBENZYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE, DTXSID30196526, (3S,8aS)-Hexahydro-3-[(4-hydroxyphenyl)methyl]pyrrolo[1,2-a]pyrazine-1,4-dione, Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-((4-hydroxyphenyl)methyl)-, (3S,8aS)-, Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-((4-hydroxyphenyl)methyl)-, (3S-trans)-, (3s,8ar)-3-(4-Hydroxybenzyl)Hexahydropyrrolo(1,2-a)Pyrazine-1,4-Dione, (3S,8aS)-3-(4-hydroxybenzyl)hexahydropyrrolo(1,2-a)pyrazine-1,4-dione, cyclo(pro-tyr), (3S,8aS)-3-((4-hydroxyphenyl)methyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione, MFCD03093467, 1w1y, Cyclo-(L-Pro-L-Tyr), CHEMBL359788, SCHEMBL12035399, DTXCID70119017, HY-P1940, DB04520, DA-55169, TYP, CS-0064671, NS00068699, Q27089361, (3S,8AS)-3-[(4-HYDROXYPHENYL)METHYL]-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(CC2CCCCC2)C(C)C2CCCC12
Np Classifier Class	Dipeptides
Deep Smiles	O=CN[C@@H]Ccccccc6))O))))))C=O)N[C@H]6CCC5
Heavy Atom Count	19.0
Classyfire Class	Carboxylic acids and derivatives
Scaffold Graph Node Level	OC1NC(CC2CCCCC2)C(O)N2CCCC12
Classyfire Subclass	Amino acids, peptides, and analogues
Isotope Atom Count	0.0
Molecular Complexity	377.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Uniprot Id	n.a., B5U2Z5
Iupac Name	(3S,8aS)-3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organic acids and derivatives
Xlogp	1.0
Gsk 4 400 Rule	True
Molecular Formula	C14H16N2O3
Scaffold Graph Node Bond Level	O=C1NC(Cc2ccccc2)C(=O)N2CCCC12
Prediction Swissadme	1.0
Inchi Key	LSGOTAXPWMCUCK-RYUDHWBXSA-N
Silicos It Class	Soluble
Fcsp3	0.4285714285714285
Logs	-1.815
Rotatable Bond Count	2.0
Logd	0.72
Synonyms	cyclol-pro-l-tyr
Esol Class	Soluble
Functional Groups	CN(C)C(C)=O, CNC(C)=O, cO
Compound Name	Maculosin
Prediction Hob Swissadme	1.0
Exact Mass	260.116
Formal Charge	0.0
Monoisotopic Mass	260.116
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	260.29
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.412300810526316
Inchi	InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1
Smiles	C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CC=C(C=C3)O
Nring	3.0
Np Classifier Biosynthetic Pathway	Amino acids and Peptides
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Small peptides

1. Outgoing r'ship FOUND_IN to/from Ambrosia Tenuifolia (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Baccharis Angustifolia (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Baccharis Dracunculifolia (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Baccharis Flabellata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Baccharis Grandicapitulata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Baccharis Indica (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Baccharis Latifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Baccharis Linearis (Plant) Rel Props:Reference:
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24. Outgoing r'ship FOUND_IN to/from Baccharis Truncata (Plant) Rel Props:Reference:
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31. Outgoing r'ship FOUND_IN to/from Cheilosoria Tenuifolia (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Cordyceps Gambu (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Source_db:npass_chem_all
36. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Curcuma Aeruginosa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Decalepis Hamiltonii (Plant) Rel Props:Reference:
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40. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
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42. Outgoing r'ship FOUND_IN to/from Eurycoma Sp (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
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46. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Isatis Costata (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients
49. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Juniperus Macropoda (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Liatris Tenuifolia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Ludwigia Peruviana (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Luisia Tenuifolia (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Monodora Tenuifolia (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Ocotea Bullata (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Ocotea Minarum (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Ocotea Pulchella (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Osyris Tenuifolia (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Physalis Peruviana (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Piper Hamiltonii (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Polygala Tenuifolia (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Poterium Sanguisorba (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Pterocaulon Sp (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Sanguisorba Officinalis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Schizonepeta Tenuifolia (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Scilla Peruviana (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Senegalia Tenuifolia (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Tagetes Tenuifolia (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Theobroma Cacao (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16131134
81. Outgoing r'ship FOUND_IN to/from Thevetia Peruviana (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Uvaria Acuminata (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Uvaria Angolensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Uvaria Boniana (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Uvaria Calamistrata (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Uvaria Chamae (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Uvaria Cherrevensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Uvaria Dulcis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Uvaria Ferruginea (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Uvaria Grandiflora (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Uvaria Griffithii (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Uvaria Hookeri (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Uvaria Kirkii (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Uvaria Klaineana (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Uvaria Lucida (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Uvaria Macrophylla (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Uvaria Microcarpa (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Uvaria Mocoli (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Uvaria Narum (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Uvaria Rufa (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Uvaria Scheffleri (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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Maculosin

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Phytochemical Properties

Associated Connections 105

Plant Connections 105