Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26346
- Core Entity Id
- 32475
- Source Entity Count
- 1
- Preferred Name
- Methyl pentose i
- Name En
- Pubchem Id
- 5460029
- Smiles Canonical
- CC(C(C(C(C=O)O)O)O)O
- Molecular Formula
- C6H12O5
- Molecular Weight
- 164.1570
- Inchikey
- PNNNRSAQSRJVSB-KVTDHHQDSA-N
- Inchi
- InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m1/s1
- Isomeric Smiles
- C[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.3512
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl Pentose(I)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl pentose I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Methyl pentose I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Methyl pentose i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl pentose i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
牡蛎肉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MU LI ROU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Oyster Meat
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal
Role
alias
Source
itcmdb_public
Preferred
No
Name
53N1T0V28U
Role
alias
Source
itcmdb_public
Preferred
No
Name
53N1T0V28U
Role
alias
Source
HERB_v2
Preferred
No
Name
634-74-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
634-74-2
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Mannose, 6-deoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Mannose, 6-deoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Rha
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Rha
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Rhamnose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-Rhamnose
Role
alias
Source
HERB_v2
Preferred
No
Name
Isodulcite
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isodulcite
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhamnose, D-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhamnose, D-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-53N1T0V28U
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-53N1T0V28U
Role
alias
Source
itcmdb_public
Preferred
No
Name
aldehydo-D-rhamnose
Role
alias
Source
HERB_v2
Preferred
No
Name
aldehydo-D-rhamnose
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Methyl Pentose(I)牡蛎肉MU LI ROUOyster Meat(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanal53N1T0V28U634-74-2D-Mannose, 6-deoxy-D-RhaD-RhamnoseIsodulciteRhamnose, D-UNII-53N1T0V28Ualdehydo-D-rhamnose
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035368
Npass
NPC146713
Tcmid
14657146582548325484
Sym Map
SMIT18874
Pub Chem
5460029
Tcmbank
TCMBANKIN002012
Etcm Ingredient
Methyl pentose I
Itcmdb Generated
ITX-INGREDIENT-D07282CEAF53ITX-INGREDIENT-EE999FFEE608
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m1/s1
Mol Wt
164.157
Mol Log P
-2.3512
Version
v1,v2
In Ch Ikey
PNNNRSAQSRJVSB-KVTDHHQDSA-N
Suppress
0
Tcm Name
牡蛎肉
Tcm Name2
MU LI ROU
Mol2 Path
/TCM_database/2007_3d_all/14665.mol2
Reference
6
Num Hdonors
4
Tcm Name En
Oyster Meat
Drug Likeness
0.349
Num Hacceptors
5
Isomeric Smiles
C[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O
Canonical Smiles
CC(C(C(C(C=O)O)O)O)O
Herb Alias Names
D-Rhamnose634-74-2(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanalaldehydo-D-rhamnoseIsodulciteRhamnose, D-D-Rha53N1T0V28UD-Mannose, 6-deoxy-UNII-53N1T0V28U
Molecular Weight
164.070
Molecular Formula
C6H12O5
Molecular Formula
C6H12O5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness（Qed）
0.373