(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol

PubChem CID: 21629614

Connections displayed (default: 10).

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Compound Synonyms	CHEBI:69849, (1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol, CHEMBL464961, Q27138188, (1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methyl-propyl]-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol, (1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methylpropyl]-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	17.0
Isotope Atom Count	0.0
Molecular Complexity	310.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	(1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methylpropyl]-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
Prediction Hob	1.0
Xlogp	2.6
Molecular Formula	C15H26O2
Prediction Swissadme	1.0
Inchi Key	OZBVMKPZPKMEGY-CAEXGNQWSA-N
Fcsp3	0.8666666666666667
Logs	-2.528
Rotatable Bond Count	2.0
Logd	3.205
Compound Name	(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol
Prediction Hob Swissadme	1.0
Exact Mass	238.193
Formal Charge	0.0
Monoisotopic Mass	238.193
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	238.37
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Esol	-2.8428001999999997
Inchi	InChI=1S/C15H26O2/c1-9(2)14(17)11-7-8-15(4)12(16)6-5-10(3)13(11)15/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14+,15-/m1/s1
Smiles	CC(C)[C@@H]([C@@H]1CC[C@]2([C@H]1C(=C)CC[C@@H]2O)C)O
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Boerhaavia Verticillata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Dicliptera Verticillata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Fritillaria Verticillata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Haplanthodes Verticillata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Haplanthus Verticillata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Hedyotis Verticillata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Hydrilla Verticillata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Hyptis Verticillata (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Litsea Aciculata (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Litsea Coriacea (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Litsea Cubeba (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Litsea Deccanensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Litsea Glutimosa (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Litsea Glutinosa (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Litsea Gracilipes (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Litsea Grandis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Litsea Khasiana (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Litsea Konishii (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Litsea Lancifolia (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Litsea Laurifolia (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Litsea Leefeana (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Litsea Monopetala (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Litsea Nitida (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Litsea Polyantha (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Litsea Pulchella (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Litsea Pungens (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Litsea Rotundifolia (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Litsea Salicifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Litsea Sebifera (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Litsea Stocksii (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Litsea Triflora (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Litsea Turfosa (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Litsea Verticillata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
34. Outgoing r'ship FOUND_IN to/from Litsea Wightiana (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Litsea Zeylanica (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Malva Verticillata (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Minthostachys Verticillata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Oldenlandia Verticillata (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Rauvolfia Verticillata (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Sanicula Epipactis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Sanicula Europaea (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Setaria Verticillata (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Spermacoce Verticillata (Plant) Rel Props:Reference:

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(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol

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Phytochemical Properties

Associated Connections 43

Plant Connections 43