Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39065
- Core Entity Id
- 70295
- Source Entity Count
- 1
- Preferred Name
- 17-octadecynoic acid
- Name En
- Pubchem Id
- 1449
- Smiles Canonical
- C#CCCCCCCCCCCCCCCCC(=O)O
- Molecular Formula
- C18H32O2
- Molecular Weight
- 280.4520
- Inchikey
- DZIILFGADWDKMF-UHFFFAOYSA-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/h1H,3-17H2,(H,19,20)
- Isomeric Smiles
- C#CCCCCCCCCCCCCCCCC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.5557
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.3150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
17-octadecynoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
17-octadecynoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
17-octadecynoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
17-octadecynoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
17-ODYA
Role
alias
Source
HERB_v2
Preferred
No
Name
17-ODYA
Role
alias
Source
itcmdb_public
Preferred
No
Name
17-ODYA (17-Octadecynoic acid)
Role
alias
Source
HERB_v2
Preferred
No
Name
17-ODYA (17-Octadecynoic acid)
Role
alias
Source
itcmdb_public
Preferred
No
Name
17-octadecyn-1-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
17-octadecyn-1-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
34450-18-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
34450-18-5
Role
alias
Source
HERB_v2
Preferred
No
Name
Alkynyl Stearic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Alkynyl Stearic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:142447
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:142447
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50188024
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50188024
Role
alias
Source
itcmdb_public
Preferred
No
Name
L8WPG7CL86
Role
alias
Source
HERB_v2
Preferred
No
Name
L8WPG7CL86
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octadec-17-ynoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Octadec-17-ynoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
17-ODYA17-ODYA (17-Octadecynoic acid)17-octadecyn-1-oic acid34450-18-5Alkynyl Stearic AcidCHEBI:142447DTXSID50188024L8WPG7CL86Octadec-17-ynoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002063
Tcmid
33711
Pub Chem
1449
Tcmbank
TCMBANKIN009671
Etcm Ingredient
17-octadecynoic acid
Itcmdb Generated
ITX-INGREDIENT-3F3B1E4F62E9
Attributes
Merged source attributes and domain-specific metadata.
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/h1H,3-17H2,(H,19,20)
Mol Wt
280.4519999999999
Smiles
C#CCCCCCCCCCCCCCCCC(=O)O
Mol Log P
5.555700000000005
In Ch Ikey
DZIILFGADWDKMF-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.315
Num Hacceptors
1
Isomeric Smiles
C#CCCCCCCCCCCCCCCCC(=O)O
Canonical Smiles
C#CCCCCCCCCCCCCCCCC(=O)O
Herb Alias Names
34450-18-5Alkynyl Stearic AcidOctadec-17-ynoic acid17-ODYAL8WPG7CL8617-octadecyn-1-oic acidCHEBI:142447DTXSID5018802417-ODYA (17-Octadecynoic acid)
Molecular Weight
280.240
Molecular Weight
280.4 g/mol
Molecular Formula
C18H32O2
Molecular Formula
C18H32O2
Molecular Formula
C18H32O2
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.036
Quantitative Estimate Of Drug Likeness（Qed）
0.315