Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 6Ingredient: 1Target: 8Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8951
- Core Entity Id
- 13116
- Source Entity Count
- 1
- Preferred Name
- 8-octadecenoic acid
- Name En
- Pubchem Id
- 5282758
- Smiles Canonical
- CCCCCCCCCC=CCCCCCCC(=O)O
- Molecular Formula
- C18H34O2
- Molecular Weight
- 282.4680
- Inchikey
- WRIDQFICGBMAFQ-ZHACJKMWSA-N
- Inchi
- InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H,19,20)/b11-10+
- Isomeric Smiles
- CCCCCCCCC/C=C/CCCCCCC(=O)O
- Cas Id
- 2197-55-9
- Ob Score
- 33.1280
- Mol Logp
- 6.1085
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.2910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Octadecenoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
8-Octadecenoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
8-Octadecenoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-Octadecenoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-octadecenoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-octadecenoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(E)-octadec-8-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-octadec-8-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E)-octadec-8-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2197-55-9
Role
alias
Source
TCMBank
Preferred
No
Name
2197-55-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2197-55-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
8E-octadecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
8E-octadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
8E-octadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
C18:1n-10
Role
alias
Source
HERB_v2
Preferred
No
Name
C18:1n-10
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:196192
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:196192
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01030071
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01030071
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01030071
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL891542
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL891542
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-8-elaidic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-8-elaidic acid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-8-elaidic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-8-octadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-8-octadecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
trans-8-octadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-octadec-8-enoic acid2197-55-98E-octadecenoic acidC18:1n-10CHEBI:196192LMFA01030071SCHEMBL891542trans-8-elaidic acidtrans-8-octadecenoic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
2197-55-9
Herb
HBIN013853
Tcmid
34238
Tcmsp
MOL006944
Sym Map
SMIT08481
Pub Chem
5282758
Tcmbank
TCMBANKIN035549
Etcm Ingredient
8-Octadecenoic acid
Itcmdb Generated
ITX-INGREDIENT-7324C8182B00
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-11H,2-9,12-17H2,1H3,(H,19,20)/b11-10+
Mol Wt
282.468
Cas Id
2197-55-9
Smiles
CCCCCCCCCC=CCCCCCCC(=O)O
Mol Log P
6.108500000000006
Version
v1,v2
In Ch Ikey
WRIDQFICGBMAFQ-ZHACJKMWSA-N
Ob Score
33.12833.1283648133.128365
Suppress
0
Num Hdonors
1
Drug Likeness
0.291
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCC/C=C/CCCCCCC(=O)O
Molecule Weight
282.52
Canonical Smiles
CCCCCCCCCC=CCCCCCCC(=O)O
Herb Alias Names
trans-8-elaidic acid(E)-octadec-8-enoic acid8E-octadecenoic acid2197-55-9trans-8-octadecenoic acidC18:1n-10SCHEMBL891542CHEBI:196192LMFA01030071
Molecular Weight
282.260
Molecular Weight
282.46
Molecular Formula
C18H34O2
Molecular Formula
C18H34O2
Molecular Formula
C18H34O2
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.291