Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24916
- Core Entity Id
- 30890
- Source Entity Count
- 1
- Preferred Name
- Rhamnose
- Name En
- Pubchem Id
- 25310
- Smiles Canonical
- CC1C(C(C(C(O1)O)O)O)O
- Molecular Formula
- C6H12O5
- Molecular Weight
- 164.1570
- Inchikey
- SHZGCJCMOBCMKK-JFNONXLTSA-N
- Inchi
- InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.1938
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3260
- Polar Surface Area
- 90.1500
- Molecular Volume
- 129.6500
- Alogp
- -1.6260
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rhamnose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
L-rhamnose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
L-rhamnose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
L-rhamnose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rhamnose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rhamnose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rhamnose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Rhamnose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
rhamnose
Role
preferred
Source
TCMBank
Preferred
Yes
Name
人参 ; 东北刺人参; 狭叶香蒲; 芦荟(库拉索芦荟); 党参; 羌活
Role
TCM_name
Source
TCMBank
Preferred
No
Name
REN SHEN; DONG BEI CI REN SHEN; XIA YE XIANG PU; LU HUI; DANG SHEN; QIANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ginseng ; Northeast Spineginseng*, Tall Oplopanax; Narrowleaf Cattail Pollen; Kulaso Aloe Dried Juice; Pilose Asiabell; Incised Notopterygium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,3R,4R,5R,6S)-6-Methyltetrahydro-2H-pyran-2,3,4,5-tetraol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol
Role
alias
Source
SymMap_v2
Preferred
No
Name
1,5]
Role
alias
Source
SymMap_v2
Preferred
No
Name
131824-EP2280274A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
131824-EP2282200A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
131824-EP2295550A2
Role
alias
Source
SymMap_v2
Preferred
No
Name
30439-EP2298735A1
Role
alias
Source
SymMap_v2
Preferred
No
Name
30439-EP2311464A1
Role
alias
Source
SymMap_v2
Preferred
No
Name
3w5n
Role
alias
Source
SymMap_v2
Preferred
No
Name
6-Deoxy-L-Mannopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Deoxy-L-Mannopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-L-Mannopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Deoxy-L-Mannopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-L-Mannose
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Deoxy-L-Mannose
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-L-mannose monohydrate
Role
alias
Source
SymMap_v2
Preferred
No
Name
6-Deoxy-Mannopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-Mannopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Deoxy-Mannopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-Mannopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Deoxy-Mannose
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Deoxy-Mannose
Role
alias
Source
HERB_v2
Preferred
No
Name
6-deoxy-alpha-L-mannopyranose
Role
alias
Source
SymMap_v2
Preferred
No
Name
6014-42-2
Role
alias
Source
SymMap_v2
Preferred
No
Name
7528AF
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L97W5
Role
alias
Source
SymMap_v2
Preferred
No
Name
AJ-46158
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK-77446
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS006281601
Role
alias
Source
SymMap_v2
Preferred
No
Name
ALPHA-RHAMNOSE
Role
alias
Source
SymMap_v2
Preferred
No
Name
Alpha-l-rhamnopyranose
Role
alias
Source
SymMap_v2
Preferred
No
Name
C02476
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:27907
Role
alias
Source
SymMap_v2
Preferred
No
Name
CJ-10928
Role
alias
Source
SymMap_v2
Preferred
No
Name
DB-022461
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID30331435
Role
alias
Source
SymMap_v2
Preferred
No
Name
Epitope ID:136105
Role
alias
Source
SymMap_v2
Preferred
No
Name
I14-13385
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-(+)-Rhamnose monohydrate, 99% 5g
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Rha
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Rha
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Rhamnose
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Rhamnose
Role
alias
Source
HERB_v2
Preferred
No
Name
RAA
Role
alias
Source
SymMap_v2
Preferred
No
Name
RAM
Role
alias
Source
SymMap_v2
Preferred
No
Name
Rha
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rha
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhamnose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhamnose
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL624858
Role
alias
Source
SymMap_v2
Preferred
No
Name
SHZGCJCMOBCMKK-HGVZOGFYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-X0E04Y9M7F
Role
alias
Source
SymMap_v2
Preferred
No
Name
W-105133
Role
alias
Source
SymMap_v2
Preferred
No
Name
WURCS=1.0/1,0/[12211m
Role
alias
Source
SymMap_v2
Preferred
No
Name
X0E04Y9M7F
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC3861280
Role
alias
Source
SymMap_v2
Preferred
No
Name
[3h]-l-rhamnose
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-6-Deoxy-L-mannose
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-L-Mannomethylose
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-L-Mannopyranose, 6-deoxy-
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-L-Rha
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-L-Rha-R
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-L-Rhamnose
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-L-Rhap
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fucose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
fucose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-Deoxy-Galactopyranose
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Deoxy-Galactopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-Galactose
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Deoxy-L-Galactopyranose
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-L-Galactopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Deoxy-L-Galactose
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fuc
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Fuc
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Fucose
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
L-rhamnose人参 ; 东北刺人参; 狭叶香蒲; 芦荟(库拉索芦荟); 党参; 羌活REN SHEN; DONG BEI CI REN SHEN; XIA YE XIANG PU; LU HUI; DANG SHEN; QIANG HUOGinseng ; Northeast Spineginseng*, Tall Oplopanax; Narrowleaf Cattail Pollen; Kulaso Aloe Dried Juice; Pilose Asiabell; Incised Notopterygium(2R,3R,4R,5R,6S)-6-Methyltetrahydro-2H-pyran-2,3,4,5-tetraol(2R,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol1,5]131824-EP2280274A2131824-EP2282200A2131824-EP2295550A230439-EP2298735A130439-EP2311464A13w5n6-Deoxy-L-Mannopyranose6-Deoxy-L-Mannopyranoside6-Deoxy-L-Mannose6-Deoxy-L-mannose monohydrate6-Deoxy-Mannopyranose6-Deoxy-Mannopyranoside6-Deoxy-Mannose6-deoxy-alpha-L-mannopyranose6014-42-27528AFAC1L97W5AJ-46158AK-77446AKOS006281601ALPHA-RHAMNOSEAlpha-l-rhamnopyranoseC02476CHEBI:27907CJ-10928DB-022461DTXSID30331435Epitope ID:136105I14-13385L-(+)-Rhamnose monohydrate, 99% 5gL-RhaRAARAMRhaSCHEMBL624858SHZGCJCMOBCMKK-HGVZOGFYSA-NUNII-X0E04Y9M7FW-105133WURCS=1.0/1,0/[12211mX0E04Y9M7FZINC3861280[3h]-l-rhamnosealpha-6-Deoxy-L-mannosealpha-L-Mannomethylosealpha-L-Mannopyranose, 6-deoxy-alpha-L-Rhaalpha-L-Rha-Ralpha-L-Rhamnosealpha-L-RhapFucose6-Deoxy-Galactopyranose6-Deoxy-Galactopyranoside6-Deoxy-Galactose6-Deoxy-L-Galactopyranose6-Deoxy-L-Galactopyranoside6-Deoxy-L-GalactoseFucL-FucL-Fucose
Cross References
Trusted external identifiers retained for this final record.
Hit
C0183
Herb
HBIN033605HBIN042172HBIN026805
Npass
NPC4884NPC84938NPC277475
Tcmid
1872432920373463277832779
Sym Map
SMIT01595SMIT23992
Tcm Id
1123
Pub Chem
2531017106
Tcmbank
TCMBANKIN057091TCMBANKIN060145
Etcm Ingredient
L-rhamnoseRhamnosefucose
Itcmdb Generated
ITX-INGREDIENT-76FB3D629922ITX-INGREDIENT-D3203FAB7DE9ITX-INGREDIENT-E9E501D629CDITX-INGREDIENT-5ECED87E6A38
Attributes
Merged source attributes and domain-specific metadata.
Ic
1.78992
Jx
2.45858
Jy
2.67974
Bic
0.5174
Cic
1.6695
Phi
2.45761
Sic
0.5174
Log D
-1.626
Sc 0
11
Sc 1
11
Sc 2
16
Type
Other ingredients
Alog P
-1.626
Chi 0
8.59385
Chi 1
5.03658
Chi 2
4.76762
In Ch I
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1
Mol Wt
164.157
Pmi X
49.7933
Energy
20.89
Sc 3 C
5
Sc 3 P
20
Smiles
CC1C(C(C(C(O1)O)O)O)O[C@]1([H])(C([H])([H])[H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
Zagreb
54
Chi 3 C
1.04875
Chi 3 P
4.19739
Chi V 0
6.08385
Chi V 1
3.41488
Chi V 2
2.70354
Kappa 1
9.0909
Kappa 2
3.16406
Kappa 3
1.6
Mol Log P
-2.1938
Sc 3 Ch
0
Version
v1,v2
Alog P Mr
34.379
Chi 3 Ch
0
Dipole X
1.37144
Dipole Y
-0.62071
Dipole Z
0.95506
Iac Mean
1.47404
In Ch Ikey
SHZGCJCMOBCMKK-JFNONXLTSA-N
Is Chiral
0
Suppress
0
Tcm Name
人参 ; 东北刺人参; 狭叶香蒲; 芦荟(库拉索芦荟); 党参; 羌活
Chi V 3 C
0.45513
Chi V 3 P
1.827
Es Sum D O
0
Es Sum T N
0
E Adj Equ
100.842
E Adj Mag
160
Hba Count
1
Hbd Count
3
Iac Total
33.9029
Jurs Rasa
0.37439
Jurs Rncg
0.20337
Jurs Rncs
8.58539
Jurs Rpcg
0.29363
Jurs Rpcs
3.47505
Jurs Rpsa
0.6256
Jurs Sasa
298.69
Jurs Tasa
111.827
Jurs Tpsa
186.863
Num Atoms
11
Num Bonds
11
Num Rings
1
Shadow Xy
42.1942
Shadow Xz
27.2338
Shadow Yz
23.5027
Shadow Nu
1.80327
Tcm Name2
REN SHEN; DONG BEI CI REN SHEN; XIA YE XIANG PU; LU HUI; DANG SHEN; QIANG HUO
V Adj Equ
82.7686
V Adj Mag
98.1075
Mol2 Path
/TCM_database/2003_3d_all/7307.mol2
Reference
2,6,450,660
Chi V 3 Ch
0
Dipole Mag
1.78277
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
35.977
Es Sum Ss O
4.676
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
8.89259
Kappa 2 Am
3.04002
Kappa 3 Am
1.52084
Num Hdonors
4
Num Chains
5
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
1
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
0
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
0
Es Sum S Ch3
1.502
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-191.935
Jurs Dpsa 3
79.3977
Jurs Fnsa 1
0.82129
Jurs Fnsa 2
-1.56513
Jurs Fnsa 3
-0.24339
Jurs Fpsa 1
0.1787
Jurs Fpsa 2
0.11169
Jurs Fpsa 3
0.02243
Jurs Pnsa 1
245.312
Jurs Pnsa 2
-467.485
Jurs Pnsa 3
-72.6973
Jurs Ppsa 1
53.3773
Jurs Ppsa 3
6.70042
Jurs Wnsa 1
73.2722
Jurs Wnsa 2
-139.633
Jurs Wnsa 3
-21.7139
Jurs Wpsa 1
15.9432
Jurs Wpsa 3
2.00134
Num Pi Bonds
0
Tcm Name En
Ginseng ; Northeast Spineginseng*, Tall Oplopanax; Narrowleaf Cattail Pollen; Kulaso Aloe Dried Juice; Pilose Asiabell; Incised Notopterygium
Admet Psa 2 D
92.192
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
4
Es Count Ss O
1
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
-5.991
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
5
Num H Donors
4
Admet Alog P98
-1.626
Admet Ext Ppb
-14.9709
Drug Likeness
0.326
Es Count Aa Ch
0
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
0
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
0
Es Count S Ch3
1
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
5
Num Fragments
1
Num Hydrogens
12
Num Ring Bonds
6
Organic Count
11
Rad Of Gyration
1.48362
Shadow Xyfrac
0.72181
Shadow Xzfrac
0.75291
Shadow Yzfrac
0.72502
Strain Energy
7.03
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
5
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
164.068
Molecular Sasa
300.942
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
8.07629
Shadow Ylength
7.23789
Shadow Zlength
4.47868
Admet Bbb Level
4
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O
Molecular Savol
260.856
Num Atom Classes
11
Num Bridge Bonds
0
Num H Acceptors
5
Num Repeat Units
0
Admet Ext Cyp2 D6
-7.0689
Admet Solubility
1.586
Canonical Smiles
CC1C(C(C(C(O1)O)O)O)O
Herb Alias Names
6-Deoxy-L-Mannopyranose6-Deoxy-L-Mannopyranoside6-Deoxy-L-Mannose6-Deoxy-Mannopyranose6-Deoxy-Mannopyranoside6-Deoxy-MannoseL-RhaRhaRhamnose
Minimized Energy
13.86
Molecular Weight
164.070
Molecular Volume
129.65
Molecular Weight
164.156164.16 g/mol
Molecule Formula
C6H12O5
Num Macro Chains
0
Molecular Formula
C6H12O5
Molecular Formula
C6H12O5
Molecular Formula
C6H12O5
Num Rotatable Bonds
0
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
11
Num Explicit Bonds
11
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
0
Molecular Polar Sasa
164.688
Num Bridge Head Atoms
0
Num Chain Assemblies
5
Num Meso Stereo Atoms
0
Molecular Solubility
0.212
Admet Ext Hepatotoxic
-2.74491
Admet Unknown Alog P98
0
Molecular Surface Area
164.42
Num Explicit Hydrogens
0
Num H Donors Lipinski
4
Num Pseudo Stereo Atoms
0
Admet Absorption Level
1
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
5
Molecular Polar Surface Area
90.15
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.547
Admet Ext Ppb Applicability#Md
11.3988
Fda Maximum Daily Dose (Fdamdd)
0.0030.009
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
12.2812
Admet Ext Ppb Applicability#Mdpvalue
0.291016
Molecular Fractional Polar Surface Area
0.548
Admet Ext Hepatotoxic Applicability#Md
7.50522
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.001591
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.970711
Quantitative Estimate Of Drug Likeness（Qed）
0.3260.373