[(3aR,4S,11S,11aR)-6,10-dimethyl-3-methylidene-11-oxidanyl-2,8-bis(oxidanylidene)-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

PubChem CID: 56642958

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Compound Synonyms	Molephantin, MLS000728553, SMR000445666, CHEMBL2002162, BDBM63865, cid_16745522, [(3aR,4S,11S,11aR)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate, [(3aR,4S,11S,11aR)-6,10-dimethyl-3-methylidene-11-oxidanyl-2,8-bis(oxidanylidene)-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate, 2-methyl-2-propenoic acid [(3aR,4S,11S,11aR)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] ester, 2-methylacrylic acid [(3aR,4S,11S,11aR)-11-hydroxy-2,8-diketo-6,10-dimethyl-3-methylene-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] ester
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	25.0
Isotope Atom Count	0.0
Molecular Complexity	711.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Uniprot Id	P46063, B2RXH2, P42858, P51151, Q9NUW8, P10636, P14618, P38532, Q962Y6, Q9F4F7, O15118, Q13315, P51450, P06746, Q92830, Q96QE3, Q96KQ7, P11473, O89049, Q9UNA4, Q9Y253, Q9UBT6, P84022, O75496, Q9HC16, Q99700, P43220, Q16236, O75874, Q03431, P53350, P27695
Iupac Name	[(3aR,4S,6Z,9E,11S,11aR)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Prediction Hob	1.0
Target Id	NPT47, NPT48, NPT1197, NPT537, NPT50, NPT51, NPT52, NPT538, NPT524, NPT59
Xlogp	1.4
Molecular Formula	C19H22O6
Prediction Swissadme	1.0
Inchi Key	LXINRHXYVUTAMQ-VZTPXQGASA-N
Fcsp3	0.4210526315789473
Logs	-2.539
Rotatable Bond Count	3.0
Logd	0.766
Compound Name	[(3aR,4S,11S,11aR)-6,10-dimethyl-3-methylidene-11-oxidanyl-2,8-bis(oxidanylidene)-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Prediction Hob Swissadme	1.0
Exact Mass	346.142
Formal Charge	0.0
Monoisotopic Mass	346.142
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	346.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	2.0
Esol	-2.6841498000000006
Inchi	InChI=1S/C19H22O6/c1-9(2)18(22)24-14-7-10(3)6-13(20)8-11(4)16(21)17-15(14)12(5)19(23)25-17/h6,8,14-17,21H,1,5,7H2,2-4H3/b10-6-,11-8+/t14-,15+,16-,17+/m0/s1
Smiles	C/C/1=C/C(=O)/C=C(/[C@@H]([C@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C)C(=C)C(=O)O2)O)\C
Nring	2.0
Defined Bond Stereocenter Count	2.0

1. Outgoing r'ship FOUND_IN to/from Arnica Mollis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Blumea Mollis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Brucea Mollis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Diospyros Mollis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Elephantopus Angustifolius (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Elephantopus Carolinianus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Elephantopus Hirtiflorus (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Elephantopus Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Elephantopus Scaber (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Eria Mollis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Ficus Mollis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Grewia Mollis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Helianthus Mollis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Heracleum Aquilegifolium (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Heracleum Candicans (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Heracleum Candolleanum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Heracleum Canescens (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Heracleum Granatense (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Heracleum Lanatum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Heracleum Mantegazzianum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Heracleum Maximum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Heracleum Moellendorffii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
23. Outgoing r'ship FOUND_IN to/from Heracleum Nepalense (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Heracleum Pinda (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Heracleum Pinnatum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Heracleum Rapula (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Heracleum Rigens (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Heracleum Scabridum (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Heracleum Sphondylium (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Heracleum Sprengelianum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Heracleum Thomsonii (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Heracleum Wallichii (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Heracleum Yungningense (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Lagascea Mollis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Minthostachys Mollis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Pedicularis Mollis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Peucedanum Dhana (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Peucedanum Govanianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
39. Outgoing r'ship FOUND_IN to/from Peucedanum Grande (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Peucedanum Graveolens (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Peucedanum Japonicum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Peucedanum Longifolium (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Peucedanum Morisonii (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Peucedanum Nagpurense (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Peucedanum Oroselinum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Peucedanum Ostruthium (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Peucedanum Palustre (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Peucedanum Praeruptorum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Peucedanum Rubricaule (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Peucedanum Ruthenicum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Peucedanum Stenocarpum (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Peucedanum Terebinthaceum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Plectranthus Mollis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Pulmonaria Mollis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Selaginella Moellendorffii (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Sophora Mollis (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Teramnus Mollis (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Thermopsis Mollis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Trillium Govanianum (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Wyethia Mollis (Plant) Rel Props:Reference:

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[(3aR,4S,11S,11aR)-6,10-dimethyl-3-methylidene-11-oxidanyl-2,8-bis(oxidanylidene)-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate

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Phytochemical Properties

Associated Connections 61

Plant Connections 61