(8S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

PubChem CID: 44144281

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	MLS002473249, CHEMBL421220, HMS2205K03, NCGC00247506-01, SMR001397336
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	34.0
Isotope Atom Count	0.0
Molecular Complexity	917.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Uniprot Id	Q16236, P84022, O75496, Q99700, P43220, Q9NUW8, Q13148, O75874, O95398
Iupac Name	(8S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Prediction Hob	0.0
Xlogp	4.8
Molecular Formula	C30H48O4
Prediction Swissadme	1.0
Inchi Key	GBJKHDVRXAVITG-VAIYFDFZSA-N
Fcsp3	0.9
Logs	-4.884
Rotatable Bond Count	4.0
Logd	4.056
Compound Name	(8S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Prediction Hob Swissadme	0.0
Exact Mass	472.355
Formal Charge	0.0
Monoisotopic Mass	472.355
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	472.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	9.0
Total Bond Stereocenter Count	0.0
Esol	-5.549702000000002
Inchi	InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21+,22?,24?,25-,28+,29+,30+/m1/s1
Smiles	C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)O)C2=C3C[C@@H](C4[C@]5(CCC(=O)C(C5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O
Nring	5.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aconitum Orientale (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Alisma Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Alisma Plantago (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alisma Plantago-Aquatica (Plant) Rel Props:Source_db:npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Avagola Plantago (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Blechnum Orientale (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Bunias Orientalis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Canna Orientalis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Celtis Orientalis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Clematis Orientalis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Consolida Orientalis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Davallia Orientalis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Digitalis Orientalis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Elaeagnus Orientalis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Erythrina Orientalis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Hyacinthus Orientalis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Matteuccia Orientalis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Nauclea Orientalis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Papaver Orientale (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Perriera Orientalis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Persicaria Orientalis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Plantago Afra (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Plantago Alpina (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Plantago Amplexicaulis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Plantago Asiatica (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Plantago Bellardi (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Plantago Cornuti (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Plantago Depressa (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Plantago Erosa (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Plantago Himalaica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Plantago Hostifolia (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Plantago Indica (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Plantago Lanceolata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Plantago Lundborgii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Plantago Major (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Plantago Media (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Plantago Ovata (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Plantago Pua (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Plantago Uniflora (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Platanus Orientalis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Polygonum Orientale (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Ribes Orientale (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Sida Orientalis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Sigesbeckia Orientalis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Sisymbrium Orientale (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Stipa Orientalis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Symphytum Orientale (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Teucrium Orientale (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Thuja Orientalis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Tragopogon Orientalis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Trema Orientalis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Typha Orientalis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Uncaria Orientalis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Viburnum Orientale (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Viscum Orientale (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Vismia Orientalis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Woodwardia Orientalis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Wulfenia Orientalis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Xanthium Orientale (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Zosima Orientalis (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

(8S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

Graph

Phytochemical Properties

Associated Connections 63

Plant Connections 63