Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 9Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28256
- Core Entity Id
- 34592
- Source Entity Count
- 1
- Preferred Name
- Octanoate
- Name En
- Pubchem Id
- 119389
- Smiles Canonical
- CCCCCCCC(=O)[O-]
- Molecular Formula
- C8H15O2-
- Molecular Weight
- 143.2060
- Inchikey
- WWZKQHOCKIZLMA-UHFFFAOYSA-M
- Inchi
- InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
- Isomeric Smiles
- CCCCCCCC(=O)[O-]
- Cas Id
- Ob Score
- Mol Logp
- 1.0968
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Octanoate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Octanoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Octanoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Octanoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
octanoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3-carboxylato-2-octanoyloxy-propyl)-trimethyl-ammonium
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3-carboxylato-2-octanoyloxy-propyl)-trimethyl-ammonium
Role
alias
Source
TCMBank
Preferred
No
Name
(3R)-3-octanoyloxy-4-(trimethylammonio)butanoate
Role
alias
Source
TCMBank
Preferred
No
Name
(3R)-3-octanoyloxy-4-(trimethylammonio)butanoate
Role
alias
Source
SymMap_v2
Preferred
No
Name
74-81-7
Role
alias
Source
HERB_v2
Preferred
No
Name
74-81-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
C02838
Role
alias
Source
TCMBank
Preferred
No
Name
C02838
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:18102
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:18102
Role
alias
Source
SymMap_v2
Preferred
No
Name
Caprylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Caprylate
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Carnitine octanoyl ester
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Carnitine octanoyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
L-O-Octanoylcarnitine
Role
alias
Source
TCMBank
Preferred
No
Name
L-O-Octanoylcarnitine
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Octanoylcarnitine
Role
alias
Source
SymMap_v2
Preferred
No
Name
L-Octanoylcarnitine
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA07070002
Role
alias
Source
SymMap_v2
Preferred
No
Name
LMFA07070002
Role
alias
Source
TCMBank
Preferred
No
Name
O-octanoyl-(R)-carnitine
Role
alias
Source
TCMBank
Preferred
No
Name
O-octanoyl-L-carnitine
Role
alias
Source
SymMap_v2
Preferred
No
Name
O-octanoyl-L-carnitine
Role
alias
Source
TCMBank
Preferred
No
Name
O-octanoyl-R-carnitine
Role
alias
Source
SymMap_v2
Preferred
No
Name
Octanoic acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt
Role
alias
Source
SymMap_v2
Preferred
No
Name
Octanoic acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt
Role
alias
Source
TCMBank
Preferred
No
Name
Octanoyl-L-carnitine, >=97.0% (TLC)
Role
alias
Source
TCMBank
Preferred
No
Name
Octanoyl-L-carnitine, >=97.0% (TLC)
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL2915508
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2915508
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-S1HB7P0O16 component CXTATJFJDMJMIY-CYBMUJFWSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-S1HB7P0O16 component CXTATJFJDMJMIY-CYBMUJFWSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
caprilate
Role
alias
Source
HERB_v2
Preferred
No
Name
caprilate
Role
alias
Source
itcmdb_public
Preferred
No
Name
capryloate
Role
alias
Source
HERB_v2
Preferred
No
Name
capryloate
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-caprylate
Role
alias
Source
HERB_v2
Preferred
No
Name
n-caprylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-octanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-octanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
n-octoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-octoate
Role
alias
Source
HERB_v2
Preferred
No
Name
n-octylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-octylate
Role
alias
Source
HERB_v2
Preferred
No
Name
octanoylcarnitine
Role
alias
Source
SymMap_v2
Preferred
No
Name
octanoylcarnitine
Role
alias
Source
TCMBank
Preferred
No
Name
octylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
octylate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3-carboxylato-2-octanoyloxy-propyl)-trimethyl-ammonium(3R)-3-octanoyloxy-4-(trimethylammonio)butanoate74-81-7C02838CHEBI:18102CaprylateL-Carnitine octanoyl esterL-O-OctanoylcarnitineL-OctanoylcarnitineLMFA07070002O-octanoyl-(R)-carnitineO-octanoyl-L-carnitineO-octanoyl-R-carnitineOctanoic acid ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner saltOctanoyl-L-carnitine, >=97.0% (TLC)SCHEMBL2915508UNII-S1HB7P0O16 component CXTATJFJDMJMIY-CYBMUJFWSA-Ncaprilatecapryloaten-caprylaten-octanoaten-octoaten-octylateoctanoylcarnitineoctylate
Cross References
Trusted external identifiers retained for this final record.
Cas
74-81-7
Hit
C1034
Herb
HBIN037793
Npass
NPC315459
Tcmid
23047
Sym Map
SMIT18300
Tcm Id
2157
Pub Chem
119389
Tcmbank
TCMBANKIN003987
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1
Mol Wt
143.206
Smiles
CCCCCCCC(=O)[O-]
Mol Log P
1.0968
Version
v1,v2
In Ch Ikey
WWZKQHOCKIZLMA-UHFFFAOYSA-M
Suppress
0
Num Hdonors
0
Drug Likeness
0.522
Num Hacceptors
2
Isomeric Smiles
CCCCCCCC(=O)[O-]
Canonical Smiles
CCCCCCCC(=O)[O-]
Herb Alias Names
Caprylatecapryloaten-octanoatecaprilaten-caprylaten-octoaten-octylate74-81-7octylate
Molecular Weight
143.2 g/mol
Molecular Formula
C8H15O2-
Molecular Formula
C8H15O2-
Num Rotatable Bonds
6