Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 5Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35411
- Core Entity Id
- 42548
- Source Entity Count
- 1
- Preferred Name
- Trans-10,cis-12 octadecadienoic acid,methyl ester
- Name En
- Pubchem Id
- 5471014
- Smiles Canonical
- CCCCCC=CC=CCCCCCCCCC(=O)OC
- Molecular Formula
- C19H34O2
- Molecular Weight
- 294.4790
- Inchikey
- KMXSXYSNZMSDFK-UQGDGPGGSA-N
- Inchi
- InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-10H,3-6,11-18H2,1-2H3/b8-7-,10-9+
- Isomeric Smiles
- CCCCC/C=C\C=C\CCCCCCCCC(=O)OC
- Cas Id
- 203-993-0
- Ob Score
- 41.6946
- Mol Logp
- 5.9729
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.2240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Trans-10, Cis-12 Octadecadienoic Acid, Methyl Ester
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Trans-10,cis-12 octadecadienoic acid,methyl ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Trans-10,cis-12 octadecadienoic acid,methyl ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
trans-10, cis-12 octadecadienoic acid, methyl ester
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(10E,12Z)-10,12-Octadecadienoic acid methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
(10E,12Z)-10,12-Octadecadienoic acid methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
(10E,12Z)-Methyl linoleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(10E,12Z)-Methyl linoleate
Role
alias
Source
HERB_v2
Preferred
No
Name
(10E,12Z)-octadeca-10,12-dienoic acid methyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
10-trans-12-cis-octadecadienoic acid methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-trans-12-cis-octadecadienoic acid methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
21870-97-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
21870-97-3
Role
alias
Source
HERB_v2
Preferred
No
Name
A64XK94MSS
Role
alias
Source
HERB_v2
Preferred
No
Name
A64XK94MSS
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 10-trans-12-cis-linoleate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 10-trans-12-cis-linoleate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl linoleate, (10E,12Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl linoleate, (10E,12Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC707238
Role
alias
Source
TCMBank
Preferred
No
Name
T10,C12-cla methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
T10,C12-cla methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (10E,12Z)-octadeca-10,12-dienoate
Role
alias
Source
TCMBank
Preferred
No
Name
methyl (10E,12Z)-octadeca-10,12-dienoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl (10E,12Z)-octadeca-10,12-dienoate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl 10-trans,12-cis-octadecadienoate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl 10-trans,12-cis-octadecadienoate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Trans-10, Cis-12 Octadecadienoic Acid, Methyl Ester(10E,12Z)-10,12-Octadecadienoic acid methyl ester(10E,12Z)-Methyl linoleate(10E,12Z)-octadeca-10,12-dienoic acid methyl ester10-trans-12-cis-octadecadienoic acid methyl ester21870-97-3A64XK94MSSMethyl 10-trans-12-cis-linoleateMethyl linoleate, (10E,12Z)-NSC707238T10,C12-cla methyl estermethyl (10E,12Z)-octadeca-10,12-dienoatemethyl 10-trans,12-cis-octadecadienoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046627
Npass
NPC228473
Tcmid
36442390694129442867
Tcmsp
MOL004457
Sym Map
SMIT06378
Pub Chem
5471014
Tcmbank
TCMBANKIN000818TCMBANKIN060871
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-10H,3-6,11-18H2,1-2H3/b8-7-,10-9+
Mol Wt
294.4789999999999
Cas Id
203-993-0
Smiles
CCCCCC=CC=CCCCCCCCCC(=O)OC
Mol Log P
5.972900000000005
Version
v1,v2
In Ch Ikey
KMXSXYSNZMSDFK-UQGDGPGGSA-N
Ob Score
41.69461841.6946180741.695
Suppress
0
Num Hdonors
0
Drug Likeness
0.224
Num Hacceptors
2
Isomeric Smiles
CCCCC/C=C\C=C\CCCCCCCCC(=O)OC
Molecule Weight
294.53
Canonical Smiles
CCCCCC=CC=CCCCCCCCCC(=O)OC
Herb Alias Names
21870-97-3methyl (10E,12Z)-octadeca-10,12-dienoate(10E,12Z)-10,12-Octadecadienoic acid methyl esterA64XK94MSST10,C12-cla methyl estermethyl 10-trans,12-cis-octadecadienoate(10E,12Z)-Methyl linoleateMethyl linoleate, (10E,12Z)-Methyl 10-trans-12-cis-linoleate10-trans-12-cis-octadecadienoic acid methyl ester
Molecular Weight
294.5 g/mol
Molecular Formula
C19H34O2
Molecular Formula
C19H34O2
Num Rotatable Bonds
14