(-)-Deoxypodophyllotoxin

PubChem CID: 2203

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Compound Synonyms	Isoanthricin, Hernandion, (-)-Deoxypodophyllotoxin, Hernandin, 5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one, Podophyllotoxin, deoxy-, 5-(3,4,5-Trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one, SMR001215957, MLS002702900, AS 2-3, (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one, MLS000563109, MEGxp0_000984, CHEMBL1736070, SCHEMBL10028445, ACon1_001023, ZGLXUQQMLLIKAN-UHFFFAOYSA-N, HMS2267B03, HY-N8038, AKOS040758295, FS-7855, DA-54395, DS-000080, CS-0139015, NS00067876, BRD-A59291892-001-01-1, BRD-A59291892-001-07-8, 5-(3,4,5-Trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5ah)-one-, (5R,5aR,8aR)-, Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-, Furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one,5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5s,5ar,8ar)-
Topological Polar Surface Area	72.5
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	29.0
Isotope Atom Count	0.0
Molecular Complexity	598.0
Database Name	cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q16236, P84022, O75496, Q99700, P43220, Q9NUW8, O75874, P27695
Iupac Name	5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Prediction Hob	1.0
Class	Lignan lactones
Xlogp	3.1
Superclass	Lignans, neolignans and related compounds
Molecular Formula	C22H22O7
Prediction Swissadme	1.0
Inchi Key	ZGLXUQQMLLIKAN-UHFFFAOYSA-N
Fcsp3	0.4090909090909091
Logs	-4.853
Rotatable Bond Count	4.0
Logd	3.358
Synonyms	Isodeoxypodophyllotoxin, Deoxypodophyllotoxin, (5R-(5alpha,5abeta,8aalpha))-isomer, Deoxypodophyllotoxin, (5alpha,5aalpha,8aalpha)-(+-)-isomer, Deoxypodophyllotoxin, (5alpha,5aalpha,8abeta)-(+-)-isomer, Deoxypodophyllotoxin, (5R-(5alpha,5aalpha,8abeta))-isomer, Deoxypicropodophyllin, Deoxypodophyllotoxin, (5R-(5alpha,5abeta,8abeta))-isomer, Deoxypodophyllotoxin, Deoxypodophyllotoxin, (5R-(5alpha,5aalpha,8aalpha))-isomer
Compound Name	(-)-Deoxypodophyllotoxin
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	398.137
Formal Charge	0.0
Monoisotopic Mass	398.137
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	398.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Esol	-4.317955096551725
Inchi	InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3
Smiles	COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O
Nring	5.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Lignan lactones

1. Outgoing r'ship FOUND_IN to/from Cassia Occidentalis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Cephalanthus Occidentalis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Dirca Occidentalis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Isodon Shikokiana (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Juniperus Ashei (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Juniperus Bermudiana (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Juniperus Brevifolia (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Juniperus Drupacea (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Juniperus Formosana (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Juniperus Horizontalis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Juniperus Macropoda (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Juniperus Occidentalis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Juniperus Oxycedrus (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Juniperus Phoenicea (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Juniperus Polycarpos (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Juniperus Procera (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Juniperus Pseudosabina (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Juniperus Recurva (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Juniperus Sabina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Juniperus Scopulorum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Juniperus Semiglobosa (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Juniperus Serawschanica (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Juniperus Silicicola (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Juniperus Squamata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Juniperus Taiwaniana (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Juniperus Thurifera (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Juniperus Virginiana (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Platanus Occidentalis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Podophyllum Emodi (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Podophyllum Emodii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Podophyllum Hexandrum (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Podophyllum Peltatum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Podophyllum Versipelle (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Pouzolzia Occidentalis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Rubus Occidentalis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Sinopodophyllum Emodi (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Sinopodophyllum Hexandrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
44. Outgoing r'ship FOUND_IN to/from Thuja Compacta (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Thuja Dolabrata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Thuja Koraiensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Thuja Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
48. Outgoing r'ship FOUND_IN to/from Thuja Orientalis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Thuja Plicata (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Thuja Standishii (Plant) Rel Props:Reference:

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(-)-Deoxypodophyllotoxin

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Phytochemical Properties

Associated Connections 50

Plant Connections 50