Lophanthoidin F

PubChem CID: 14193979

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	Lophanthoidin F, 2-[(4bS,8aS,9S,10S)-10-ethoxy-1,9-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate, 2-((4bS,8aS,9S,10S)-10-ethoxy-1,9-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)propyl acetate, SCHEMBL22861873, AKOS032962229, FS-10228
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	110.0
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2CCC3CCCCC3C2C1C
Np Classifier Class	Abietane diterpenoids
Deep Smiles	CCO[C@H]C=CC=O)C=O)C=C6O))CCOC=O)C))))C)))))[C@@][C@@H][C@@H]6O))CC)C)CCC6)))))C
Heavy Atom Count	31.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CCC2CCC3CCCCC3C2C1O
Classyfire Subclass	Diterpenoids
Isotope Atom Count	0.0
Molecular Complexity	865.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	2-[(4bS,8aS,9S,10S)-10-ethoxy-1,9-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	2.4
Gsk 4 400 Rule	False
Molecular Formula	C24H34O7
Scaffold Graph Node Bond Level	O=C1C=CC2=C(C1=O)C1CCCCC1CC2
Prediction Swissadme	1.0
Inchi Key	KAFLKOPTWXVBHC-RTPBUUFMSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.7083333333333334
Logs	-3.36
Rotatable Bond Count	6.0
Logd	1.252
Synonyms	lophanthoidin f
Esol Class	Soluble
Functional Groups	CC1=C(O)C(C)=C(C)C(=O)C1=O, CO, COC, COC(C)=O
Compound Name	Lophanthoidin F
Prediction Hob Swissadme	0.0
Exact Mass	434.23
Formal Charge	0.0
Monoisotopic Mass	434.23
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	434.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.662679800000002
Inchi	InChI=1S/C24H34O7/c1-7-30-21-15-16(24(6)10-8-9-23(4,5)22(24)20(21)29)19(28)18(27)14(17(15)26)12(2)11-31-13(3)25/h12,20-22,26,29H,7-11H2,1-6H3/t12?,20-,21+,22+,24-/m1/s1
Smiles	CCO[C@@H]1[C@H]([C@@H]2[C@](CCCC2(C)C)(C3=C1C(=C(C(=O)C3=O)C(C)COC(=O)C)O)C)O
Nring	3.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Diterpenoids

1. Outgoing r'ship FOUND_IN to/from Isodon Adenanthus (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Isodon Adenolomus (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Isodon Albopilosus (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Isodon Amethystoides (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Isodon Angustifolia (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Isodon Bulleyana (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Isodon Calcicola (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Isodon Coetsa (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Isodon Dawoensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Isodon Effusa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Isodon Enanderianus (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Isodon Eriocalyx (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Isodon Flavidus (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Isodon Flexicaulis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Isodon Forrestii (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Isodon Gesneroides (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Isodon Henryi (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Isodon Inflexa (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Isodon Japonica (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Isodon Japonicus (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Isodon Kameba (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Isodon Kunmingensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Isodon Lasiocarpus (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Isodon Leucophyllus (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Isodon Lihsienensis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Isodon Lophanthoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
27. Outgoing r'ship FOUND_IN to/from Isodon Loxothyrsa (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Isodon Lungshengensis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Isodon Macrocalyx (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Isodon Megathyrsus (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Isodon Melissoides (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Isodon Nervosus (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Isodon Nilgherricus (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Isodon Oresbia (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Isodon Pharicus (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Isodon Phyllostachys (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Isodon Rosthornii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Isodon Rubescens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Isodon Rugosus (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Isodon Scoparius (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Isodon Sculponeata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Isodon Sculponeatus (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Isodon Serra (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Isodon Setschwanensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Isodon Shikokiana (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Isodon Ternifolia (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Isodon Ternifolius (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Isodon Trichocarpa (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Isodon Trichocarpus (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Isodon Umbrosa (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Isodon Walkeri (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Isodon Weisiensis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Isodon Wightii (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Isodon Wikstroemioides (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Isodon Xerophilus (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

Lophanthoidin F

Graph

Phytochemical Properties

Associated Connections 55

Plant Connections 55