Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10049
- Core Entity Id
- 14336
- Source Entity Count
- 1
- Preferred Name
- Aleprylic acid
- Name En
- Pubchem Id
- 5282853
- Smiles Canonical
- C1CC(C=C1)CCCCCCC(=O)O
- Molecular Formula
- C12H20O2
- Molecular Weight
- 196.2900
- Inchikey
- GMYNCKRSFMEXPG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h5,8,11H,1-4,6-7,9-10H2,(H,13,14)
- Isomeric Smiles
- C1CC(C=C1)CCCCCCC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3778
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.5000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aleprylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Aleprylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aleprylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aleprylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
aleprylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-cyclopentene-1-heptanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-cyclopentene-1-heptanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2348-91-6
Role
alias
Source
HERB_v2
Preferred
No
Name
2348-91-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-(2-cyclopenten-1-yl)heptanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-(2-cyclopenten-1-yl)heptanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(2-cyclopentenyl)-heptanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(2-cyclopentenyl)-heptanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-(cyclopent-2-enyl)heptanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(cyclopent-2-enyl)heptanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-cyclopent-2-en-1-ylheptanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7-cyclopent-2-en-1-ylheptanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID00366092
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID00366092
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50415241
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50415241
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2491883
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2491883
Role
alias
Source
HERB_v2
Preferred
No
Name
aleprylicacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-cyclopentene-1-heptanoic acid2348-91-67-(2-cyclopenten-1-yl)heptanoic acid7-(2-cyclopentenyl)-heptanoic acid7-(cyclopent-2-enyl)heptanoic acid7-cyclopent-2-en-1-ylheptanoic acidDTXCID00366092DTXSID50415241SCHEMBL2491883aleprylicacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015114
Npass
NPC57241
Tcmid
25790885
Sym Map
SMIT22241
Tcm Id
16277214687042
Pub Chem
5282853
Tcmbank
TCMBANKIN030043
Etcm Ingredient
Aleprylic acid
Itcmdb Generated
ITX-INGREDIENT-0CB770E7BABFITX-INGREDIENT-DC41EFED16C4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h5,8,11H,1-4,6-7,9-10H2,(H,13,14)
Mol Wt
196.29
Smiles
C1CC(C=C1)CCCCCCC(=O)O
Mol Log P
3.377800000000001
Version
v2
In Ch Ikey
GMYNCKRSFMEXPG-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.5
Num Hacceptors
1
Isomeric Smiles
C1CC(C=C1)CCCCCCC(=O)O
Canonical Smiles
C1CC(C=C1)CCCCCCC(=O)O
Herb Alias Names
7-cyclopent-2-en-1-ylheptanoic acid2-cyclopentene-1-heptanoic acid2348-91-67-(2-cyclopentenyl)-heptanoic acid7-(cyclopent-2-enyl)heptanoic acid7-(2-cyclopenten-1-yl)heptanoic acidDTXSID50415241SCHEMBL2491883DTXCID00366092
Molecular Weight
196.150
Molecular Weight
196.29 g/mol
Molecular Formula
C12H20O2
Molecular Formula
C12H20O2
Molecular Formula
C12H20O2
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.079
Quantitative Estimate Of Drug Likeness（Qed）
0.500