Aranciamycin

PubChem CID: 15177995

Connections displayed (default: 10).

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Compound Synonyms	Aranciamycin, (2S,3S,4R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione, 72389-06-1, CHEMBL1096602, CHEBI:213360, HY-123886, CS-0086682
Topological Polar Surface Area	189.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	39.0
Isotope Atom Count	0.0
Molecular Complexity	988.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Uniprot Id	n.a.
Iupac Name	(2S,3S,4R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Prediction Hob	0.0
Xlogp	0.3
Molecular Formula	C27H28O12
Prediction Swissadme	0.0
Inchi Key	PGCZNTNNZCKKFG-LJUYJRHKSA-N
Fcsp3	0.4444444444444444
Logs	-3.078
Rotatable Bond Count	4.0
Logd	1.78
Compound Name	Aranciamycin
Prediction Hob Swissadme	0.0
Exact Mass	544.158
Formal Charge	0.0
Monoisotopic Mass	544.158
Hydrogen Bond Acceptor Count	12.0
Molecular Weight	544.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Esol	-3.39384810769231
Inchi	InChI=1S/C27H28O12/c1-9-17(29)21(33)23(36-3)26(38-9)39-22-16-12(24(34)27(2,35)25(22)37-4)8-11-15(20(16)32)19(31)14-10(18(11)30)6-5-7-13(14)28/h5-9,17,21-23,25-26,28-29,32-33,35H,1-4H3/t9-,17-,21+,22+,23+,25-,26-,27+/m0/s1
Smiles	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@](C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)(C)O)OC)OC)O)O
Nring	5.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Alstonia Yunnanensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Amentotaxus Yunnanensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Buddleja Madagascariensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Cabucala Madagascariensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Cinnamosma Madagascariensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Combretum Yunnanensis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Diospyros Virginiana (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Eurycoma Sp (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Gaultheria Yunnanensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Givotia Moluccana (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Hamamelis Virginiana (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Harungana Madagascariensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Juniperus Ashei (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Juniperus Bermudiana (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Juniperus Brevifolia (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Juniperus Drupacea (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Juniperus Formosana (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Juniperus Horizontalis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Juniperus Macropoda (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Juniperus Occidentalis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Juniperus Oxycedrus (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Juniperus Phoenicea (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Juniperus Polycarpos (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Juniperus Procera (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Juniperus Pseudosabina (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Juniperus Recurva (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Juniperus Sabina (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Juniperus Scopulorum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Juniperus Semiglobosa (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Juniperus Serawschanica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Juniperus Silicicola (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Juniperus Squamata (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Juniperus Taiwaniana (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Juniperus Thurifera (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Juniperus Virginiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
43. Outgoing r'ship FOUND_IN to/from Michelia Yunnanensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Phlegmariurus Yunnanensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Pholidota Yunnanensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Pinus Yunnanensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Pleione Yunnanensis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Polygonum Virginiana (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Populus Yunnanensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Prunus Virginiana (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Psorothamnus Arborescens (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Psorothamnus Junceus (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Psorothamnus Polydenius (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Psorothamnus Spinosus (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Pterocaulon Sp (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Rauvolfia Yunnanensis (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Ravenala Madagascariensis (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Rohdea Nepalensis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Rohdea Wattii (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Rubia Yunnanensis (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Salacia Madagascariensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Salvia Yunnanensis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Samadera Madagascariensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Sinodielsia Yunnanensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Swartzia Madagascariensis (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Torreya Fargesii (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Torreya Yunnanensis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Tradescantia Virginiana (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Walsura Yunnanensis (Plant) Rel Props:Reference:

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Aranciamycin

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Phytochemical Properties

Associated Connections 73

Plant Connections 73