Angustoline

PubChem CID: 3084765

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Angustoline, 40041-95-0, 19-(1-hydroxyethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridin-5(7H)-one, 8,13-dihydro-1-(1-hydroxyethyl)-, (-)-, 19-(1-hydroxyethyl)-3,13,17-triazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, SCHEMBL3130934, ACon1_001552, DTXSID90960503, BRD-A66206989-001-01-4, 1-(1-Hydroxyethyl)-8,13-dihydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	69.2
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CCCCC2CC2C1CCC1C3CCCCC3CC12
Np Classifier Class	Carboline alkaloids
Deep Smiles	CCccnccc6cc-c[nH]ccc5CCn9c%13=O))))))cccc6))))))))))))))))O
Heavy Atom Count	25.0
Classyfire Class	Indoles and derivatives
Scaffold Graph Node Level	OC1C2CNCCC2CC2C3NC4CCCCC4C3CCN12
Classyfire Subclass	Pyridoindoles
Isotope Atom Count	0.0
Molecular Complexity	591.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	19-(1-hydroxyethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	1.8
Gsk 4 400 Rule	True
Molecular Formula	C20H17N3O2
Scaffold Graph Node Bond Level	O=c1c2cnccc2cc2n1CCc1c-2[nH]c2ccccc12
Prediction Swissadme	0.0
Inchi Key	NDHJXXLIRWAMEN-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.2
Logs	-3.964
Rotatable Bond Count	1.0
Logd	0.247
Synonyms	angustoline
Esol Class	Soluble
Functional Groups	CO, c=O, c[nH]c, cn(c)C, cnc
Compound Name	Angustoline
Prediction Hob Swissadme	0.0
Exact Mass	331.132
Formal Charge	0.0
Monoisotopic Mass	331.132
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	331.4
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	-4.280925
Inchi	InChI=1S/C20H17N3O2/c1-11(24)15-9-21-10-16-14(15)8-18-19-13(6-7-23(18)20(16)25)12-4-2-3-5-17(12)22-19/h2-5,8-11,22,24H,6-7H2,1H3
Smiles	CC(C1=C2C=C3C4=C(CCN3C(=O)C2=CN=C1)C5=CC=CC=C5N4)O
Nring	6.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Tryptophan alkaloids

1. Outgoing r'ship FOUND_IN to/from Acacia Acuminata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Anogeissus Acuminata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Atropa Acuminata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Barleria Acuminata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Bauhinia Acuminata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Callicarpa Acuminata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Cola Acuminata (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Ehretia Acuminata (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Eurya Acuminata (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Gymnosporia Acuminata (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Ixora Acuminata (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Magnolia Acuminata (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Musa Acuminata (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Nauclea Rhynchophylla (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Nicotiana Acuminata (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Pimpinella Acuminata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Pycnandra Acuminata (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Rheedia Acuminata (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Strychnos Colubrina (Plant) Rel Props:Reference:ISBN:9788172363093
21. Outgoing r'ship FOUND_IN to/from Tiliacora Acuminata (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Trichoscypha Acuminata (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Uncaria Acida (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Uncaria Attenuata (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Uncaria Borneensis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Uncaria Callophylla (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Uncaria Canescens (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Uncaria Cordata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Uncaria Donisii (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Uncaria Elliptica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Uncaria Gambier (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Uncaria Gambir (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Uncaria Guianensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Uncaria Hirsuta (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Uncaria Homomalla (Plant) Rel Props:Reference:ISBN:9788185042084
37. Outgoing r'ship FOUND_IN to/from Uncaria Kawakamii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Uncaria Laevigata (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Uncaria Lancifolia (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Uncaria Lanosa (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Uncaria Longiflora (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Uncaria Macrophylla (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Uncaria Nervosa (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Uncaria Orientalis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Uncaria Perrottetii (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Uncaria Quadrangularis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Uncaria Rhynchophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
48. Outgoing r'ship FOUND_IN to/from Uncaria Scandens (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Uncaria Sessilifructus (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Uncaria Sterrophylla (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Uncaria Tomentosa (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Uncaria Veluntina (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Uvaria Acuminata (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Waitzia Acuminata (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Angustoline

Graph

Phytochemical Properties

Associated Connections 55

Plant Connections 55