Agrocybin

PubChem CID: 11004

Connections displayed (default: 10).

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Compound Synonyms	Agrocybin, 8-hydroxyocta-2,4,6-triynamide, 8-Hydroxy-2,4,6-octatriynamide, 544-44-5, A0AFV4JUIT, UNII-A0AFV4JUIT, BRN 1761957, 2,4,6-OCTATRIYNAMIDE, 8-HYDROXY-, AGROCYBIN [MI], NSC636326, 8-Hydroxy-2,4,6-octatriyneoic amide, NSC-636326, DTXSID20202786, 4-03-00-01047 (Beilstein Handbook Reference), 8-hydroxyocta-2,4,6-trynoic acid amide, acetate amide, SCHEMBL1654320, CHEMBL1967731, DTXCID50125277, GLXC-21059, LMFA08010027, AKOS006341004, NCI60_012071
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	11.0
Isotope Atom Count	0.0
Molecular Complexity	341.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	8-hydroxyocta-2,4,6-triynamide
Prediction Hob	1.0
Xlogp	-0.3
Molecular Formula	C8H5NO2
Prediction Swissadme	0.0
Inchi Key	OXONWCQUZYDTNF-UHFFFAOYSA-N
Fcsp3	0.125
Logs	-1.145
Rotatable Bond Count	2.0
Logd	0.494
Compound Name	Agrocybin
Prediction Hob Swissadme	0.0
Exact Mass	147.032
Formal Charge	0.0
Monoisotopic Mass	147.032
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	147.13
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Esol	-1.0105245999999999
Inchi	InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)
Smiles	C(C#CC#CC#CC(=O)N)O
Nring	0.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acanthosyris Spinescens (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Acnistus Arborescens (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aesculus Assamica (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aesculus Californica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aesculus Carnea (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aesculus Chinensis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aesculus Glabra (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Aesculus Hippocastanum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aesculus Indica (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aesculus Turbinata (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Aloe Arborescens (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Ambrosia Arborescens (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Annona Spinescens (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Ardisia Arborescens (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artemisia Arborescens (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Catananche Caerulea (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Cratoxylum Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
18. Outgoing r'ship FOUND_IN to/from Cratoxylum Cochinchinense (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Cratoxylum Formosum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Cratoxylum Maingayi (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Cratoxylum Pruniflorum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Erythrina Arborescens (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Hedyosmum Arborescens (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Heliotropium Arborescens (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Hydrangea Arborescens (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Indigofera Caerulea (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Jasminum Arborescens (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Launaea Arborescens (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Lonicera Caerulea (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Mascarenhasia Arborescens (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Nymphaea Caerulea (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Passiflora Caerulea (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Phonus Arborescens (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Psorothamnus Arborescens (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Scaevola Frutescens (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Scaevola Plumieri (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Scaevola Taccada (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Sideritis Arborescens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Skimmia Arborescens (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Trigonella Balansae (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Trigonella Caerulea (Plant) Rel Props:Source_db:npass_chem_all
42. Outgoing r'ship FOUND_IN to/from Trigonella Corniculata (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Trigonella Emodi (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Trigonella Grandiflora (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Trigonella Incisa (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Trigonella Occulta (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 46

Plant Connections 46