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: 9Ingredient: 1Target: 12Links: 21
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31953
- Core Entity Id
- 38707
- Source Entity Count
- 1
- Preferred Name
- Rns
- Name En
- Pubchem Id
- 19233
- Smiles Canonical
- CC(C(C(C(C=O)O)O)O)O
- Molecular Formula
- C6H12O5
- Molecular Weight
- 164.1570
- Inchikey
- PNNNRSAQSRJVSB-BXKVDMCESA-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-/m0/s1
- Isomeric Smiles
- C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O
- Cas Id
- 4469-18-5
- Ob Score
- 40.7340
- 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
RNS
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rns
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rns
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rns
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
Role
alias
Source
itcmdb_public
Preferred
No
Name
3615-41-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
3615-41-6
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-L-mannose monohydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-L-mannose monohydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:16055
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:16055
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 3730
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 3730
Role
alias
Source
itcmdb_public
Preferred
No
Name
QN34XC755A
Role
alias
Source
HERB_v2
Preferred
No
Name
QN34XC755A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhamnose (VAN)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhamnose (VAN)
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhamnose, L-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhamnose, L-
Role
alias
Source
HERB_v2
Preferred
No
Name
aldehydo-L-rhamnose
Role
alias
Source
HERB_v2
Preferred
No
Name
aldehydo-L-rhamnose
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-L-Rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-L-Rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal3615-41-66-Deoxy-L-mannose monohydrateCHEBI:16055FEMA No. 3730QN34XC755ARhamnose (VAN)Rhamnose, L-aldehydo-L-rhamnosealpha-L-Rhamnoside
Cross References
Trusted external identifiers retained for this final record.
Cas
4469-18-5
Herb
HBIN042348
Npass
NPC287707
Tcmsp
MOL004690
Sym Map
SMIT06563
Pub Chem
19233
Etcm Ingredient
RNS
Itcmdb Generated
ITX-INGREDIENT-C328B7E41160
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-/m0/s1
Mol Wt
164.157
Cas Id
4469-18-5
Mol Log P
-2.3512
Version
v1,v2
In Ch Ikey
PNNNRSAQSRJVSB-BXKVDMCESA-N
Ob Score
40.73440.73427584
Suppress
0
Num Hdonors
4
Drug Likeness
0.349
Num Hacceptors
5
Isomeric Smiles
C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O
Molecule Weight
164.18
Canonical Smiles
CC(C(C(C(C=O)O)O)O)O
Herb Alias Names
3615-41-6(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanalaldehydo-L-rhamnoseRhamnose, L-FEMA No. 3730QN34XC755ACHEBI:160556-Deoxy-L-mannose monohydratealpha-L-RhamnosideRhamnose (VAN)
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