Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2393
- Core Entity Id
- 5847
- Source Entity Count
- 1
- Preferred Name
- 2-o-methyl-d-xyloside
- Name En
- Pubchem Id
- 5319816
- Smiles Canonical
- COC1C(C(COC1O)O)O
- Molecular Formula
- C6H12O5
- Molecular Weight
- 164.1570
- Inchikey
- UAXFCDNRLADBDZ-JGWLITMVSA-N
- Inchi
- InChI=1S/C6H12O5/c1-10-5-4(8)3(7)2-11-6(5)9/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
- Isomeric Smiles
- CO[C@@H]1[C@H]([C@@H](CO[C@H]1O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.9282
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-O-Methyl-D-xyloside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-O-Methyl-D-xyloside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-o-methyl-d-xyloside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-o-methyl-d-xyloside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
海带
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI DAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ellgrass
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
.BETA.-D-XYLOPYRANOSE, 2-O-METHYL-
Role
alias
Source
itcmdb_public
Preferred
No
Name
18652-95-4
Role
alias
Source
HERB_v2
Preferred
No
Name
18652-95-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-O-METHYL-.BETA.-D-XYLOPYRANOSE
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-O-Methyl-beta-D-xylopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
L4X4SWZ5CU
Role
alias
Source
HERB_v2
Preferred
No
Name
L4X4SWZ5CU
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1547313
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1547313
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-L4X4SWZ5CU
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-L4X4SWZ5CU
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Xylopyranose, 2-O-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
海带HAI DAIEllgrass.BETA.-D-XYLOPYRANOSE, 2-O-METHYL-18652-95-42-O-METHYL-.BETA.-D-XYLOPYRANOSE2-O-Methyl-beta-D-xylopyranoseL4X4SWZ5CUSCHEMBL1547313UNII-L4X4SWZ5CUbeta-D-Xylopyranose, 2-O-methyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006253
Tcmid
1481031696
Pub Chem
5319816
Tcmbank
TCMBANKIN021437
Etcm Ingredient
2-O-Methyl-D-xyloside
Itcmdb Generated
ITX-INGREDIENT-1E77C5817D70ITX-INGREDIENT-ABC764FAAB19
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H12O5/c1-10-5-4(8)3(7)2-11-6(5)9/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
Mol Wt
164.157
Mol Log P
-1.9282
In Ch Ikey
UAXFCDNRLADBDZ-JGWLITMVSA-N
Tcm Name
海带
Tcm Name2
HAI DAI
Mol2 Path
/TCM_database/2007_3d_all/14818.mol2
Reference
6
Num Hdonors
3
Tcm Name En
Ellgrass
Drug Likeness
0.42
Num Hacceptors
5
Isomeric Smiles
CO[C@@H]1[C@H]([C@@H](CO[C@H]1O)O)O
Canonical Smiles
COC1C(C(COC1O)O)O
Herb Alias Names
2-O-Methyl-beta-D-xylopyranoseL4X4SWZ5CUUNII-L4X4SWZ5CUbeta-D-Xylopyranose, 2-O-methyl-18652-95-4SCHEMBL15473132-O-METHYL-.BETA.-D-XYLOPYRANOSE.BETA.-D-XYLOPYRANOSE, 2-O-METHYL-
Molecular Weight
164.070
Molecular Formula
C6H12O5
Molecular Formula
C6H12O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.420