Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Target: 12Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14590
- Core Entity Id
- 19382
- Source Entity Count
- 1
- Preferred Name
- Odd
- Name En
- Pubchem Id
- 5282800
- Smiles Canonical
- CCCCCC=CC=CCCCCCCCCC(=O)O
- Molecular Formula
- C18H32O2
- Molecular Weight
- 280.4520
- Inchikey
- GKJZMAHZJGSBKD-MUIOLIGRSA-N
- Inchi
- InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6+,9-8-
- Isomeric Smiles
- CCCCC/C=C/C=C\CCCCCCCCC(=O)O
- Cas Id
- 2420-44-2
- Ob Score
- 4.4169
- Mol Logp
- 5.8845
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.3180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cis-10,Trans-12-Conjugatedlinoleicacid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Odd
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
CIS-10,TRANS-12-CONJUGATEDLINOLEICACID
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cis-10,Trans-12-Conjugatedlinoleicacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cis-10,trans-12-conjugatedlinoleicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cis-10,trans-12-conjugatedlinoleicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ODD
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Odd
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Odd
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Odd
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(10E,12Z)-10,12-Octadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(10E,12Z)-10,12-Octadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(10E,12Z)-10,12-Octadecadienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(10E,12Z)-octadeca-10,12-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(10E,12Z)-octadeca-10,12-dienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(10E,12Z)-octadeca-10,12-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(10Z,12E)-octadeca-10,12-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(10Z,12E)-octadeca-10,12-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
10(e),12(z)-octadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
10(e),12(z)-octadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
10,12-Octadecadienoic acid, (10Z,12E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
10,12-Octadecadienoic acid, (10Z,12E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-TRANS-12-CIS-OCTADECADIENOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-TRANS-12-CIS-OCTADECADIENOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
10-cis,12-trans-Linoleic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
10-cis,12-trans-Linoleic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-trans,12-cis-Linoleic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
10-trans,12-cis-Linoleic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-trans-12-cis-CLA
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-trans-12-cis-CLA
Role
alias
Source
HERB_v2
Preferred
No
Name
10E,12Z-octadecadienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
10E,Z12-CLA
Role
alias
Source
TCMBank
Preferred
No
Name
10Z,12E-Octadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
10Z,12E-Octadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2420-44-2
Role
alias
Source
HERB_v2
Preferred
No
Name
2420-44-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
2420-56-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
2420-56-6
Role
alias
Source
HERB_v2
Preferred
No
Name
94594_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:44526
Role
alias
Source
TCMBank
Preferred
No
Name
Conjugated (10E,12Z)-Linoleic acid solution
Role
alias
Source
TCMBank
Preferred
No
Name
GKJZMAHZJGSBKD-MUIOLIGRSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
GKJZMAHZJGSBKD-MUIOLIGRSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01030125
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01031059
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01031059
Role
alias
Source
HERB_v2
Preferred
No
Name
Linoleic acid (10-trans, 12-cis)
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL3953180
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3953180
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-10, cis-12-octadecadienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-10,cis-12 conjugated linoleic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-10,cis-12 conjugated linoleic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-10-cis-12-Octadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-10-cis-12-Octadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Cis-10,Trans-12-Conjugatedlinoleicacid(10E,12Z)-10,12-Octadecadienoic acid(10E,12Z)-octadeca-10,12-dienoic acid(10Z,12E)-octadeca-10,12-dienoic acid10(e),12(z)-octadecadienoic acid10,12-Octadecadienoic acid, (10Z,12E)-10-TRANS-12-CIS-OCTADECADIENOIC ACID10-cis,12-trans-Linoleic Acid10-trans,12-cis-Linoleic acid10-trans-12-cis-CLA10E,12Z-octadecadienoic acid10E,Z12-CLA10Z,12E-Octadecadienoic acid2420-44-22420-56-694594_FLUKACHEBI:44526Conjugated (10E,12Z)-Linoleic acid solutionGKJZMAHZJGSBKD-MUIOLIGRSA-NLMFA01030125LMFA01031059Linoleic acid (10-trans, 12-cis)SCHEMBL3953180trans-10, cis-12-octadecadienoic acidtrans-10,cis-12 conjugated linoleic acidtrans-10-cis-12-Octadecadienoic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
2420-44-2
Herb
HBIN020737HBIN037817
Tcmsp
MOL004361MOL004454
Sym Map
SMIT06292SMIT06375
Pub Chem
52828009882163
Tcmbank
TCMBANKIN020029TCMBANKIN023474
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6+,9-8-InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
Mol Wt
280.4519999999999
Cas Id
2420-44-2
Smiles
CCCCCC=CC=CCCCCCCCCC(=O)O
Mol Log P
5.884500000000005
Version
v1,v2
In Ch Ikey
GKJZMAHZJGSBKD-MUIOLIGRSA-NGKJZMAHZJGSBKD-NMMTYZSQSA-N
Ob Score
4.4169044.4169044064.41741.741.7003787941.700379
Suppress
0
Num Hdonors
1
Drug Likeness
0.318
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C/C=C\CCCCCCCCC(=O)OCCCCC/C=C\C=C\CCCCCCCCC(=O)O
Molecule Weight
250.52280.5
Canonical Smiles
CCCCCC=CC=CCCCCCCCCC(=O)O
Herb Alias Names
2420-44-210-cis,12-trans-Linoleic Acid(10Z,12E)-octadeca-10,12-dienoic acid10Z,12E-Octadecadienoic acid10,12-Octadecadienoic acid, (10Z,12E)-10(e),12(z)-octadecadienoic acidSCHEMBL3953180GKJZMAHZJGSBKD-MUIOLIGRSA-NLMFA01031059
Molecular Weight
280.45
Molecular Formula
C18H32O2
Molecular Formula
C18H32O2
Num Rotatable Bonds
14