ITCMDBv1
IngredientID 28843

Oxyresveratrol-2-o-beta-d-glucopyranoside

C20H22O9

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 3Ingredient: 1Target: 7Links: 10
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
28843
Core Entity Id
35247
Source Entity Count
1
Preferred Name
Oxyresveratrol-2-o-beta-d-glucopyranoside
Name En
Pubchem Id
11058597
Smiles Canonical
C1=CC(=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)C=CC3=CC(=CC(=C3)O)O
Molecular Formula
C20H22O9
Molecular Weight
406.3870
Inchikey
UPUMEBJDZQEUFC-CUYWLFDKSA-N
Inchi
InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-8-12(22)4-3-11(15)2-1-10-5-13(23)7-14(24)6-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
Isomeric Smiles
C1=CC(=C(C=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=C/C3=CC(=CC(=C3)O)O
Cas Id
Ob Score
3.0100
Mol Logp
0.1525
Num H Donors
7
Num H Acceptors
9
Num Rotatable Bonds
5
Drug Likeness
0.3430
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Oxyresveratrol 2-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Oxyresveratrol-2-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-(2-((E)-2-(3,5-dihydroxyphenyl)ethenyl)-5-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
392274-22-5
Role
alias
Source
HERB_v2
Preferred
No
Name
392274-22-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
A-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760611
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040760611
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3516
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3516
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxyresveratrol 2-O-
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyresveratrol 2-O-??-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyresveratrol 2-O-??-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxyresveratrol 2-O-I2-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyresveratrol 2-O-I2-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxyresveratrol 2-O-b-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxyresveratrol 2-O-b-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyresveratrol 2-O-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyresveratrol 2-O-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxyresveratrol 2-O-|A-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Oxyresveratrol 2-o-beta-d-glucopyranoside(2S,3R,4S,5S,6R)-2-(2-((E)-2-(3,5-dihydroxyphenyl)ethenyl)-5-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol392274-22-5A-D-glucopyranosideAKOS040760611HY-N3516Oxyresveratrol 2-O-Oxyresveratrol 2-O-??-D-glucopyranosideOxyresveratrol 2-O-I2-D-glucopyranosideOxyresveratrol 2-O-b-D-glucopyranosideOxyresveratrol 2-O-|A-D-glucopyranoside

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN038514HBIN038515
Tcmid
1646038436
Tcmsp
MOL012737
Sym Map
SMIT13469
Pub Chem
11058597

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-8-12(22)4-3-11(15)2-1-10-5-13(23)7-14(24)6-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
Mol Wt
406.3870000000001
Mol Log P
0.1524999999999999
In Ch Ikey
UPUMEBJDZQEUFC-CUYWLFDKSA-N
Ob Score
3.01
Num Hdonors
7
Drug Likeness
0.343
Num Hacceptors
9
Isomeric Smiles
C1=CC(=C(C=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=C/C3=CC(=CC(=C3)O)O
Canonical Smiles
C1=CC(=C(C=C1O)OC2C(C(C(C(O2)CO)O)O)O)C=CC3=CC(=CC(=C3)O)O
Herb Alias Names
Oxyresveratrol 2-O-beta-D-glucopyranoside392274-22-5(2S,3R,4S,5S,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolOxyresveratrol 2-O-|A-D-glucopyranoside(2S,3R,4S,5S,6R)-2-(2-((E)-2-(3,5-dihydroxyphenyl)ethenyl)-5-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolHY-N3516AKOS040760611Oxyresveratrol 2-O-b-D-glucopyranosideOxyresveratrol 2-O-??-D-glucopyranosideOxyresveratrol 2-O-I2-D-glucopyranoside
Molecular Formula
C20H22O9
Num Rotatable Bonds
5