Andropanolide

PubChem CID: 7067324

Connections displayed (default: 10).

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Compound Synonyms	Andropanolide, 869807-57-8, (3Z,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one, (S,Z)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one, CHEMBL466345, SCHEMBL15263160, HY-N1912, AKOS024458261, MS-25418, CS-0017906, NS00072057, G14172
Topological Polar Surface Area	87.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	25.0
Isotope Atom Count	0.0
Molecular Complexity	597.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	(3Z,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
Prediction Hob	1.0
Xlogp	2.2
Molecular Formula	C20H30O5
Prediction Swissadme	1.0
Inchi Key	BOJKULTULYSRAS-QPSYGYIJSA-N
Fcsp3	0.75
Logs	-2.836
Rotatable Bond Count	3.0
Logd	1.245
Compound Name	Andropanolide
Prediction Hob Swissadme	1.0
Exact Mass	350.209
Formal Charge	0.0
Monoisotopic Mass	350.209
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	350.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	1.0
Esol	-3.1756210000000005
Inchi	InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-/t14-,15-,16+,17-,19+,20+/m1/s1
Smiles	C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C\3/[C@@H](COC3=O)O)(C)CO)O
Nring	3.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Acalypha Paniculata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Acmella Paniculata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Acypha Paniculata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Afraegle Paniculata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Andrographis Alata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Andrographis Atropurpurea (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Andrographis Echioides (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Andrographis Elongata (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Andrographis Herba (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Andrographis Lineata (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Andrographis Macrobotrys (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Andrographis Nallamalayana (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Andrographis Neesiana (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
15. Outgoing r'ship FOUND_IN to/from Andrographis Serpyllifolia (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Andrographis Viscosula (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Ardisia Paniculata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Cassine Paniculata (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Coussarea Paniculata (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Crotalaria Paniculata (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Dalbergia Lanceolaria (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Dbergia Paniculata (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Diospyros Paniculata (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Erycibe Paniculata (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Flemingia Paniculata (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Gymnacranthera Paniculata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Hydrangea Paniculata (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Ipomoea Paniculata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Jacquemontia Paniculata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Koelreuteria Paniculata (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Meconopsis Paniculata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Microcos Paniculata (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Onosma Paniculata (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Ostodes Paniculata (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Oxyspora Paniculata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Porana Paniculata (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Sasa Paniculata (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Spilanthes Paniculata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Stevia Paniculata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Symplocos Paniculata (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Wendlandia Paniculata (Plant) Rel Props:Reference:

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Andropanolide

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Phytochemical Properties

Associated Connections 46

Plant Connections 46