Neoisoastilbin

PubChem CID: 10114809

Connections displayed (default: 10).

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Compound Synonyms	Neoisoastilbin, (2S,3R)-Astilbin, 54141-72-9, KA92CW3M68, NSC-245342, UNII-KA92CW3M68, Isoastilbin, (2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S,3R)-, DTXSID30311792, (2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one, 4H-1-BENZOPYRAN-4-ONE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5,7-DIHYDROXY-, (2S,3R)-, HY-N5116, AKOS030553615, MS-28162, CS-0032432, E88592
Topological Polar Surface Area	186.0
Hydrogen Bond Donor Count	7.0
Heavy Atom Count	32.0
Isotope Atom Count	0.0
Molecular Complexity	676.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Iupac Name	(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Prediction Hob	0.0
Xlogp	0.4
Molecular Formula	C21H22O11
Prediction Swissadme	0.0
Inchi Key	ZROGCCBNZBKLEL-XEXNSLJOSA-N
Fcsp3	0.3809523809523809
Logs	-4.034
Rotatable Bond Count	3.0
Logd	0.371
Compound Name	Neoisoastilbin
Prediction Hob Swissadme	0.0
Exact Mass	450.116
Formal Charge	0.0
Monoisotopic Mass	450.116
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	450.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	0.0
Esol	-2.6237552
Inchi	InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19-,20-,21-/m0/s1
Smiles	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aesculus Glabra (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Begonia Glabra (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Dioscorea Glabra (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Goupia Glabra (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Helenium Amarum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Helenium Arizonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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27. Outgoing r'ship FOUND_IN to/from Indigofera Glabra (Plant) Rel Props:Reference:
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29. Outgoing r'ship FOUND_IN to/from Leucojum Aestivum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Malpighia Glabra (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Mussaenda Glabra (Plant) Rel Props:Reference:
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46. Outgoing r'ship FOUND_IN to/from Pongamia Glabra (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Quercus Phillyraeoides (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Sarcandra Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
49. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Smilax Aristolochiifolia (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Smilax Aspera (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Smilax Bracteata (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Smilax China (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
54. Outgoing r'ship FOUND_IN to/from Smilax Elegans (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
56. Outgoing r'ship FOUND_IN to/from Smilax Lancaefolia (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Smilax Macrophylla (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Smilax Menispermoidea (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Smilax Myosotiflora (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Smilax Ovalifolia (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Smilax Perfoliata (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Smilax Prolifera (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Smilax Sieboldii (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Smilax Wightii (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Smilax Zeylanica (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
68. Outgoing r'ship FOUND_IN to/from Triticum Durum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Triticum Estivum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Triticum Sativum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Triticum Vulgare (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Ulmus Glabra (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Viola Placida (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Waldheimia Glabra (Plant) Rel Props:Reference:

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Neoisoastilbin

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Phytochemical Properties

Associated Connections 74

Plant Connections 74