Armaosigenin

PubChem CID: 25156706

Connections displayed (default: 10).

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Compound Synonyms	armaosigenin, (E)-3-(4-((1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl)oxy-3,5-dimethoxyphenyl)prop-2-enal, (E)-3-[4-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enal, CHEMBL574116, 1073342-09-2
Topological Polar Surface Area	115.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	29.0
Isotope Atom Count	0.0
Molecular Complexity	499.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Iupac Name	(E)-3-[4-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enal
Prediction Hob	1.0
Xlogp	1.6
Molecular Formula	C21H24O8
Prediction Swissadme	0.0
Inchi Key	DWGMCUNRIQYVFE-UHDDOPSISA-N
Fcsp3	0.2857142857142857
Logs	-3.357
Rotatable Bond Count	10.0
Logd	1.512
Compound Name	Armaosigenin
Prediction Hob Swissadme	0.0
Exact Mass	404.147
Formal Charge	0.0
Monoisotopic Mass	404.147
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	404.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	1.0
Esol	-2.9826798965517245
Inchi	InChI=1S/C21H24O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-11,19-20,23-25H,12H2,1-3H3/b5-4+/t19-,20+/m1/s1
Smiles	COC1=CC(=CC(=C1O[C@H](CO)[C@H](C2=CC(=C(C=C2)O)OC)O)OC)/C=C/C=O
Nring	2.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Daphne Arisanensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Daphne Aurantiaca (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Daphne Bholua (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Daphne Blagayana (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Daphne Feddei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
6. Outgoing r'ship FOUND_IN to/from Daphne Genkwa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Daphne Giraldii (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Daphne Gnidium (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Daphne Lancifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Daphne Mezereum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Daphne Mucronata (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Daphne Odora (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Daphne Oleoides (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Daphne Papyracea (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Daphne Retusa (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Daphne Tangutica (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Pajanelia Longifolia (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Senna Multijuga (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Solanum Acaule (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Solanum Aculeatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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75. Outgoing r'ship FOUND_IN to/from Solanum Seaforthianum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Solanum Sisymbrifolium (Plant) Rel Props:Reference:
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78. Outgoing r'ship FOUND_IN to/from Solanum Sodomaeum (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Solanum Sodomeum (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Solanum Spirale (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Solanum Stramoniifolium (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Solanum Sublobatum (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Solanum Surattense (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Solanum Toxicarum (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Solanum Transcaucasicum (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Solanum Trilobatum (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Solanum Tripartitum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Solanum Verbascifolium (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Solanum Viarum (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Solanum Villosum (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Solanum Violaceum (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Solanum Virginianum (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Solanum Virginiatum (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Solanum Wrightii (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Solanum Xanthocarpum (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 98

Plant Connections 98