Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 5Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7612
- Core Entity Id
- 11644
- Source Entity Count
- 1
- Preferred Name
- 6-gingediacetate
- Name En
- Pubchem Id
- 5317587
- Smiles Canonical
- CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
- Molecular Formula
- C21H32O6
- Molecular Weight
- 380.4810
- Inchikey
- PXBFKEHWQRAQQD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3
- Isomeric Smiles
- CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
- Cas Id
- 43615-75-2
- Ob Score
- 6.7098
- Mol Logp
- 4.1672
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.4330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Gingediacetate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-gingediacetate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-gingediacetate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
[6]-Gingediacetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
[6]-Gingediacetate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
生姜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHENG JIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Fresh Common Ginger
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl) acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate
Role
alias
Source
HERB_v2
Preferred
No
Name
(6)-Gingerdiol 3,5-diacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate, (3R,5S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate, (3R,5S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate, [R-(R*,S*)]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate, [R-(R*,S*)]-
Role
alias
Source
HERB_v2
Preferred
No
Name
[3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
[6]-Gingerdiol 3,5-diacetate
Role
alias
Source
HERB_v2
Preferred
No
Name
[6]-Gingerdiol 3,5-diacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[6]-Gingerdiol 3,5-diacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
[6]-Gingediacetate生姜SHENG JIANGFresh Common Ginger(3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl) acetate(3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate(6)-Gingerdiol 3,5-diacetic acid3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate, (3R,5S)-3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate, [R-(R*,S*)]-[3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate[6]-Gingerdiol 3,5-diacetate[6]-Gingerdiol 3,5-diacetic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
43615-75-2
Herb
HBIN012356HBIN012355
Npass
NPC269293
Tcmid
310258381
Tcmsp
MOL002490
Sym Map
SMIT04715SMIT15539
Pub Chem
5317587
Tcmbank
TCMBANKIN005619TCMBANKIN060857
Etcm Ingredient
[6]-Gingediacetate
Itcmdb Generated
ITX-INGREDIENT-8FA2246EC853ITX-INGREDIENT-B3B3FD567BEE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3
Mol Wt
380.4810000000002
Cas Id
43615-75-2
Smiles
CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
Mol Log P
4.167200000000004
Version
v1,v2
In Ch Ikey
PXBFKEHWQRAQQD-UHFFFAOYSA-N
Ob Score
6.7098065626.71
Suppress
0
Tcm Name
生姜
Tcm Name2
SHENG JIANG
Mol2 Path
/TCM_database/2007_3d_all/08382.mol2
Reference
2
Num Hdonors
1
Tcm Name En
Fresh Common Ginger
Drug Likeness
0.433
Num Hacceptors
6
Isomeric Smiles
CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
Molecule Weight
380.53
Canonical Smiles
CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
Herb Alias Names
[6]-Gingerdiol 3,5-diacetate[3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate(6)-Gingerdiol 3,5-diacetate3-(acetyloxy)-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl acetate(6)-Gingerdiol 3,5-diacetic acid[6]-Gingerdiol 3,5-diacetic acid3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate, (3R,5S)-3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate, [R-(R*,S*)]-(3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl) acetate(3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate
Molecular Weight
380.220
Molecular Weight
380.5 g/mol
Molecular Formula
C21H32O6
Molecular Formula
C21H32O6
Molecular Formula
C21H32O6
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.975
Quantitative Estimate Of Drug Likeness（Qed）
0.433