Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37475
- Core Entity Id
- 56309
- Source Entity Count
- 1
- Preferred Name
- 10-gingediol
- Name En
- Pubchem Id
- 101572265
- Smiles Canonical
- CCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O
- Molecular Formula
- C21H36O4
- Molecular Weight
- 352.5150
- Inchikey
- LGSIUDXMEDKEPY-OALUTQOASA-N
- Inchi
- InChI=1S/C21H36O4/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/h12,14-15,18-19,22-24H,3-11,13,16H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.5860
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.4280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10-Gingediol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
10-Gingediol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
10-gingediol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
10-gingediol;[10]-gingediol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
[10]-Gingediol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
[10]-Gingediol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
[10]-gingediol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-diol
Role
alias
Source
SymMap_v2
Preferred
No
Name
53254-77-6
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1NSVUB
Role
alias
Source
SymMap_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10-gingediol;[10]-gingediol[10]-Gingediol1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-diol53254-77-6AC1NSVUB
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000116HBIN000117
Npass
NPC132205NPC14774
Tcmid
310288384
Sym Map
SMIT15542SMIT19205
Pub Chem
1015722655317590
Tcmbank
TCMBANKIN001654TCMBANKIN060988
Etcm Ingredient
10-Gingediol[10]-Gingediol
Itcmdb Generated
ITX-INGREDIENT-27F46A2F3A83ITX-INGREDIENT-31877F4EC160ITX-INGREDIENT-BA96BDF1F890ITX-INGREDIENT-CCD7B7A1E4B3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H36O4/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/h12,14-15,18-19,22-24H,3-11,13,16H2,1-2H3InChI=1S/C21H36O4/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/h12,14-15,18-19,22-24H,3-11,13,16H2,1-2H3/t18-,19-/m0/s1
Mol Wt
352.515
Smiles
CCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O
Mol Log P
4.586000000000007
Version
v1,v2
In Ch Ikey
LGSIUDXMEDKEPY-OALUTQOASA-NLGSIUDXMEDKEPY-UHFFFAOYSA-N
Suppress
0
Tcm Name
生姜
Tcm Name2
SHENG JIANG
Mol2 Path
/TCM_database/2007_3d_all/08385.mol2
Reference
2
Num Hdonors
3
Tcm Name En
Fresh Common Ginger
Drug Likeness
0.428
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)OCCCCCCCCC[C@@H](C[C@H](CCC1=CC(=C(C=C1)O)OC)O)O
Canonical Smiles
CCCCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O
Molecular Weight
352.260
Molecule Formula
C21H36O4
Molecular Formula
C21H36O4
Molecular Formula
C21H36O4
Molecular Formula
C21H36O4
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.9430.951
Quantitative Estimate Of Drug Likeness（Qed）
0.428