Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Reference: 1Target: 15Links: 21
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32255
- Core Entity Id
- 39042
- Source Entity Count
- 1
- Preferred Name
- 10-gingerol
- Name En
- Pubchem Id
- 168115
- Smiles Canonical
- CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
- Molecular Formula
- C21H34O4
- Molecular Weight
- 350.4990
- Inchikey
- AIULWNKTYPZYAN-SFHVURJKSA-N
- Inchi
- InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
- Isomeric Smiles
- CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
- Cas Id
- Ob Score
- 19.1377
- Mol Logp
- 4.7942
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.4730
- Polar Surface Area
- 67.0000
- Molecular Volume
- 264.0000
- Alogp
- 5.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(S)-5-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)-3-Tetradecanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
10-Gingerol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(S)-5-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)-3-Tetradecanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
10-Gingerol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
10-gingerol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-gingerol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
10-gingerol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
10-gingerol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
干姜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GAN JIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Ginger Dried Rhizome
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(10)-Gingerol
Role
alias
Source
HERB_v2
Preferred
No
Name
(10)-Gingerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)- 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-[10]-Gingerol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(S)-[10]-Gingerol
Role
alias
Source
TCMBank
Preferred
No
Name
1-(3-Methoxy-4-hydroxyphenyl)-5-hydroxy-3-tetradecanone
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-(3-Methoxy-4-hydroxyphenyl)-5-hydroxy-3-tetradecanone
Role
alias
Source
TCMBank
Preferred
No
Name
107257-18-1
Role
alias
Source
TCMBank
Preferred
No
Name
107257-18-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
23513-15-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
23513-15-7
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
Role
alias
Source
SymMap_v2
Preferred
No
Name
5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
Role
alias
Source
SymMap_v2
Preferred
No
Name
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NQNFJ
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NQNFJ
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK468895
Role
alias
Source
TCMBank
Preferred
No
Name
AK468895
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS027420583
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS027420583
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG01639773
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG01639773
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD01682694
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD01682694
Role
alias
Source
HERB_v2
Preferred
No
Name
ND6ZLI4J0V
Role
alias
Source
itcmdb_public
Preferred
No
Name
ND6ZLI4J0V
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4885722
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL4885722
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-ND6ZLI4J0V
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-ND6ZLI4J0V
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(S)-5-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)-3-Tetradecanone干姜GAN JIANGCommon Ginger Dried Rhizome(10)-Gingerol(5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one(S)- 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone(S)-[10]-Gingerol1-(3-Methoxy-4-hydroxyphenyl)-5-hydroxy-3-tetradecanone107257-18-123513-15-73-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-oneAC1NQNFJAK468895AKOS027420583BG01639773MFCD01682694ND6ZLI4J0VSCHEMBL4885722UNII-ND6ZLI4J0V
Cross References
Trusted external identifiers retained for this final record.
Cas
23513-15-7
Hit
C0673
Herb
HBIN000120HBIN000121HBIN042714
Npass
NPC278308NPC37506
Tcmid
283588396
Tcmsp
MOL002459
Sym Map
SMIT04689SMIT15552SMIT19049
Tcm Id
1582615827158281582915830159881614419290
Pub Chem
1681155275726
Tcmbank
TCMBANKIN041000TCMBANKIN047312TCMBANKIN060987
Etcm Ingredient
10-gingerol[10]-gingerol
Itcmdb Generated
ITX-INGREDIENT-0B5FDD3CBA54ITX-INGREDIENT-205F3D8CAE8CITX-INGREDIENT-D25E3E68055C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
5
In Ch I
InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
Mol Wt
350.499
Smiles
CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
37 Flag
37
C Count
21
Mol Log P
4.794200000000007
N Count
0
O Count
4
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
AIULWNKTYPZYAN-SFHVURJKSA-N
Ob Score
19.13771119.1377113519.138
Suppress
0
Tcm Name
干姜
Tcm Name2
GAN JIANG
Mol2 Path
/TCM_database/1.解表药(28-28)/1.发散风寒药(16-16)/生姜/structure/10-gingerol.mol2/TCM_database/2007_3d_all/08397.mol2
Reference
2, 4449
Num Hdonors
2
Tcm Name En
Common Ginger Dried Rhizome
Num H Donors
2
Drug Likeness
0.473
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O
Molecule Weight
350.55
Num H Acceptors
4
Canonical Smiles
CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
Herb Alias Names
23513-15-7(10)-Gingerol[10]-Gingerol(S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanoneUNII-ND6ZLI4J0VND6ZLI4J0V(5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one(S)- 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanoneMFCD01682694
Molecular Weight
350.250
Molecular Volume
264265
Molecular Weight
350350.49 g/mol350.5 g/mol
Molecule Formula
C21H34O4
Molecular Formula
C21H34O4
Molecular Formula
C21H34O4
Molecular Formula
C21H34O4
Num Rotatable Bonds
14
Num Rotatable Bonds
14
Molecular Polar Surface Area
67
Fda Maximum Daily Dose (Fdamdd)
0.8260.896
Quantitative Estimate Of Drug Likeness（Qed）
0.473