Aristoloterpenate-I

PubChem CID: 10347702

Connections displayed (default: 10).

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Compound Synonyms	Aristoloterpenate-I, Aristoloterpenate I, (-)-Aristoloterpenate I, CHEBI:132825, [(1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl] 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate, ((1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl) 8-methoxy-6-nitronaphtho(2,1-g)(1,3)benzodioxole-5-carboxylate, 184955-22-4, CHEMBL505464, (1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
Topological Polar Surface Area	117.0
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	41.0
Isotope Atom Count	0.0
Molecular Complexity	1080.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	n.a.
Iupac Name	[(1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl] 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
Prediction Hob	1.0
Xlogp	6.4
Molecular Formula	C32H31NO8
Prediction Swissadme	0.0
Inchi Key	CNCKKGCRDGSHDH-PTDIUHGLSA-N
Fcsp3	0.3125
Logs	-7.552
Rotatable Bond Count	5.0
Logd	4.664
Compound Name	Aristoloterpenate-I
Prediction Hob Swissadme	0.0
Exact Mass	557.205
Formal Charge	0.0
Monoisotopic Mass	557.205
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	557.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	3.0
Esol	-7.179496726829271
Inchi	InChI=1S/C32H31NO8/c1-19-7-4-9-20(2)13-22(14-21(17-34)10-5-8-19)41-32(35)25-16-28-31(40-18-39-28)30-23-11-6-12-27(38-3)24(23)15-26(29(25)30)33(36)37/h6,8-9,11-12,14-17,22H,4-5,7,10,13,18H2,1-3H3/b19-8+,20-9+,21-14-/t22-/m1/s1
Smiles	C/C/1=C\CC/C(=C/[C@@H](C/C(=C/CC1)/C)OC(=O)C2=CC3=C(C4=C5C=CC=C(C5=CC(=C24)[N+](=O)[O-])OC)OCO3)/C=O
Nring	5.0
Defined Bond Stereocenter Count	3.0

1. Outgoing r'ship FOUND_IN to/from Acacia Mollissima (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Amischotolype Mollissima (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aristolochia Arcuata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aristolochia Bracteolata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Aristolochia Chamissonis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aristolochia Clematitis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aristolochia Constricta (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Aristolochia Contorta (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aristolochia Debilis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aristolochia Elegans (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Aristolochia Fangchi (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Aristolochia Fontanesii (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Aristolochia Grandiflora (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Aristolochia Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
15. Outgoing r'ship FOUND_IN to/from Aristolochia Indica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Aristolochia Kaempferi (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Aristolochia Labiata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Aristolochia Littoralis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Aristolochia Longa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Aristolochia Manshuriensis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Aristolochia Maxima (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Aristolochia Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
23. Outgoing r'ship FOUND_IN to/from Aristolochia Moupinensis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Aristolochia Reticulata (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Aristolochia Ringens (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Aristolochia Rotunda (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Aristolochia Saccata (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Aristolochia Serpentaria (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Aristolochia Sipho (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Aristolochia Tagala (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Aristolochia Triangularis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Aristolochia Tuberosa (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Aristolochia Urghiana (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Aristolochia Zollingeriana (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Castanea Mollissima (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Euphorbia Heterophylla (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Ficus Heterophylla (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Girardinia Heterophylla (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Lasia Heterophylla (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Limnophila Heterophylla (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Maytenus Heterophylla (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Populus Heterophylla (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Premna Mollissima (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Pseudostellaria Heterophylla (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Solena Heterophylla (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Tabebuia Heterophylla (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Tsuga Heterophylla (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Tylophora Mollissima (Plant) Rel Props:Reference:

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Aristoloterpenate-I

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Phytochemical Properties

Associated Connections 48

Plant Connections 48