Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Target: 4Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36919
- Core Entity Id
- 44234
- Source Entity Count
- 1
- Preferred Name
- Xylan
- Name En
- Pubchem Id
- 50909243
- Smiles Canonical
- C1(C(C(OC(C1O)O)O)O)O
- Molecular Formula
- C5H10O6
- Molecular Weight
- 166.1290
- Inchikey
- HEHIOFQJTRFOKM-ASQQECOQSA-N
- Inchi
- InChI=1S/C5H10O6/c6-1-2(7)4(9)11-5(10)3(1)8/h1-10H/t1?,2-,3+,4-,5+
- Isomeric Smiles
- [C@H]1([C@H](O[C@H]([C@@H](C1O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.2639
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Xylan
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
XYLAN
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Xylan
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Xylan
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Xylan
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
xylan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3R,5S,6S)-tetrahydropyran-2,3,4,5,6-pentol
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R,5S,6S)-tetrahydropyran-2,3,4,5,6-pentol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2R,3R,5S,6S)-tetrahydropyran-2,3,4,5,6-pentol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R,5S,6S)-tetrahydropyran-2,3,4,5,6-pentol
Role
alias
Source
HERB_v2
Preferred
No
Name
XYLAN
Role
alias
Source
TCMBank
Preferred
No
Name
XYLAN
Role
alias
Source
SymMap_v2
Preferred
No
Name
Xylan,Birch
Role
alias
Source
SymMap_v2
Preferred
No
Name
Xylan,Birch
Role
alias
Source
TCMBank
Preferred
No
Name
Xylan,Birch
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xylan,Birch
Role
alias
Source
HERB_v2
Preferred
No
Name
bmse010022
Role
alias
Source
SymMap_v2
Preferred
No
Name
bmse010022
Role
alias
Source
TCMBank
Preferred
No
Name
bmse010022
Role
alias
Source
itcmdb_public
Preferred
No
Name
bmse010022
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R,5S,6S)-tetrahydropyran-2,3,4,5,6-pentolXylan,Birchbmse010022
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048520
Npass
NPC71413
Tcmid
23844
Sym Map
SMIT01910
Tcm Id
83
Pub Chem
50909243
Tcmbank
TCMBANKIN026311
Etcm Ingredient
XYLAN
Itcmdb Generated
ITX-INGREDIENT-B44E8947DB71
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H10O6/c6-1-2(7)4(9)11-5(10)3(1)8/h1-10H/t1?,2-,3+,4-,5+
Mol Wt
166.129
Smiles
C1(C(C(OC(C1O)O)O)O)O
Mol Log P
-3.263899999999999
Version
v1,v2
In Ch Ikey
HEHIOFQJTRFOKM-ASQQECOQSA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.258
Num Hacceptors
6
Isomeric Smiles
[C@H]1([C@H](O[C@H]([C@@H](C1O)O)O)O)O
Canonical Smiles
C1(C(C(OC(C1O)O)O)O)O
Herb Alias Names
Xylan,Birchbmse010022(2R,3R,5S,6S)-tetrahydropyran-2,3,4,5,6-pentol
Molecular Weight
150.050
Molecular Weight
166.13 g/mol
Molecular Formula
C5H10O5
Molecular Formula
C5H10O6
Molecular Formula
C5H10O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.304