Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 8Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8040
- Core Entity Id
- 12110
- Source Entity Count
- 1
- Preferred Name
- 7,10-pentadecadiynoic acid
- Name En
- Pubchem Id
- 30942
- Smiles Canonical
- CCCCC#CCC#CCCCCCC(=O)O
- Molecular Formula
- C15H22O2
- Molecular Weight
- 234.3390
- Inchikey
- OCIQDJYHPBDJQX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-4,7,10-14H2,1H3,(H,16,17)
- Isomeric Smiles
- CCCCC#CCC#CCCCCCC(=O)O
- Cas Id
- 22117-06-2
- Ob Score
- 41.4960
- Mol Logp
- 3.6086
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.5390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,10-PENTADECADIYNOIC ACID
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,10-Pentadecadiynoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7,10-Pentadecadiynoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7,10-pentadecadiynoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,10-pentadecadiynoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
22117-06-2
Role
alias
Source
TCMBank
Preferred
No
Name
22117-06-2
Role
alias
Source
HERB_v2
Preferred
No
Name
22117-06-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,10-pentadecadiynoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1KLG
Role
alias
Source
TCMBank
Preferred
No
Name
ACM22117062
Role
alias
Source
TCMBank
Preferred
No
Name
CTK1A4127
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID60176634
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60176634
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID60176634
Role
alias
Source
itcmdb_public
Preferred
No
Name
pentadeca-7,10-diynoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
pentadeca-7,10-diynoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
pentadeca-7,10-diynoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
22117-06-2AC1L1KLGACM22117062CTK1A4127DTXSID60176634pentadeca-7,10-diynoic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
22117-06-2
Herb
HBIN012857
Npass
NPC205039
Tcmid
1681625362
Tcmsp
MOL008277
Sym Map
SMIT09587SMIT17128SMIT18842
Tcm Id
7500
Pub Chem
30942
Tcmbank
TCMBANKIN008326
Etcm Ingredient
7,10-Pentadecadiynoic acid
Itcmdb Generated
ITX-INGREDIENT-9EBCA924E8C3
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-4,7,10-14H2,1H3,(H,16,17)
Mol Wt
234.3389999999999
Cas Id
22117-06-2
Smiles
CCCCC#CCC#CCCCCCC(=O)O
Mol Log P
3.608600000000002
Version
v1,v2
In Ch Ikey
OCIQDJYHPBDJQX-UHFFFAOYSA-N
Ob Score
41.49641.4963597441.49636
Suppress
1
Num Hdonors
1
Drug Likeness
0.539
Num Hacceptors
1
Isomeric Smiles
CCCCC#CCC#CCCCCCC(=O)O
Molecule Weight
234.37
Canonical Smiles
CCCCC#CCC#CCCCCCC(=O)O
Herb Alias Names
22117-06-2pentadeca-7,10-diynoic acidDTXSID60176634
Molecular Weight
234.160
Molecular Weight
234.33
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Num Rotatable Bonds
7
Link Ingredient Id
9587.0
Fda Maximum Daily Dose (Fdamdd)
0.955
Quantitative Estimate Of Drug Likeness（Qed）
0.539