Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Target: 12Links: 22
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2071
- Core Entity Id
- 5491
- Source Entity Count
- 1
- Preferred Name
- 2-lauroleic acid
- Name En
- Pubchem Id
- 96204
- Smiles Canonical
- CCCCCCCCCC=CC(=O)O
- Molecular Formula
- C12H22O2
- Molecular Weight
- 198.3060
- Inchikey
- PAWGRNGPMLVJQH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
- Isomeric Smiles
- CCCCCCCCCC=CC(=O)O
- Cas Id
- 32466-54-9
- Ob Score
- 31.4159
- Mol Logp
- 3.7679
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.4520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Lauroleic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-lauroleic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-lauroleic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2Z)-2-Dodecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2Z)-2-Dodecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Dodecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Dodecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4412-16-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
4412-16-2
Role
alias
Source
HERB_v2
Preferred
No
Name
BCP10360
Role
alias
Source
HERB_v2
Preferred
No
Name
BCP10360
Role
alias
Source
itcmdb_public
Preferred
No
Name
C12:1n-10
Role
alias
Source
HERB_v2
Preferred
No
Name
C12:1n-10
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80871073
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80871073
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01030037
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01030037
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL248281
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL248281
Role
alias
Source
itcmdb_public
Preferred
No
Name
dodecenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
dodecenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2Z)-2-Dodecenoic acid2-Dodecenoic acid4412-16-2BCP10360C12:1n-10DTXSID80871073LMFA01030037SCHEMBL248281dodecenic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
32466-54-9
Herb
HBIN005867
Npass
NPC28853
Tcmid
309256543
Tcmsp
MOL000301
Sym Map
SMIT02928SMIT15205SMIT19176
Pub Chem
96204
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
Mol Wt
198.306
Cas Id
32466-54-9
Mol Log P
3.767900000000003
Version
v1,v2
In Ch Ikey
PAWGRNGPMLVJQH-UHFFFAOYSA-N
Ob Score
31.4159357431.416
Suppress
0
Num Hdonors
1
Drug Likeness
0.452
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCC=CC(=O)O
Molecule Weight
198.34
Canonical Smiles
CCCCCCCCCC=CC(=O)O
Herb Alias Names
2-Dodecenoic acid4412-16-2C12:1n-10(2Z)-2-Dodecenoic aciddodecenic acidSCHEMBL248281DTXSID80871073BCP10360LMFA01030037
Molecular Formula
C12H22O2
Num Rotatable Bonds
9