Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14589
- Core Entity Id
- 19381
- Source Entity Count
- 1
- Preferred Name
- Cis-10-nineteen carbon acid
- Name En
- Pubchem Id
- 196225
- Smiles Canonical
- CC1(C(CCC1(C)C(=O)O)C(=O)C2=CC=C(C=C2)OC)C
- Molecular Formula
- C17H22O4
- Molecular Weight
- 290.3590
- Inchikey
- JZMUCLZEZUFWDA-SUMWQHHRSA-N
- Inchi
- InChI=1S/C17H22O4/c1-16(2)13(9-10-17(16,3)15(19)20)14(18)11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,19,20)/t13-,17+/m0/s1
- Isomeric Smiles
- C[C@@]1(CC[C@H](C1(C)C)C(=O)C2=CC=C(C=C2)OC)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.4050
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cis-10- nineteen carbon acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cis-10-nineteen carbon acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cis-10-nineteen carbon acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)
Role
alias
Source
HERB_v2
Preferred
No
Name
82801-37-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
82801-37-4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1553259
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1553259
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopentanecarboxylic acid, 3-(4-methoxybenzoyl)-1,2,2-trimethyl-, labeled with carbon-14, cis-(+-)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopentanecarboxylic acid, 3-(4-methoxybenzoyl)-1,2,2-trimethyl-, labeled with carbon-14, cis-(+-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID301002907
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID301002907
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMS2204I04
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS2204I04
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS001868631
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS001868631
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00247401-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00247401-01
Role
alias
Source
itcmdb_public
Preferred
No
Name
PATC
Role
alias
Source
HERB_v2
Preferred
No
Name
PATC
Role
alias
Source
itcmdb_public
Preferred
No
Name
para-Anisoyl-3-(1,2,2-trimethyl-cyclopentane carboxylic acid)
Role
alias
Source
HERB_v2
Preferred
No
Name
para-Anisoyl-3-(1,2,2-trimethyl-cyclopentane carboxylic acid)
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Cis-10- nineteen carbon acid4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)82801-37-4CHEMBL1553259Cyclopentanecarboxylic acid, 3-(4-methoxybenzoyl)-1,2,2-trimethyl-, labeled with carbon-14, cis-(+-)-DTXSID301002907HMS2204I04MLS001868631NCGC00247401-01PATCpara-Anisoyl-3-(1,2,2-trimethyl-cyclopentane carboxylic acid)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020736
Npass
NPC125153
Tcmid
37465
Pub Chem
196225
Tcmbank
TCMBANKIN015780
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H22O4/c1-16(2)13(9-10-17(16,3)15(19)20)14(18)11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,19,20)/t13-,17+/m0/s1
Mol Wt
290.359
Smiles
CC1(C(CCC1(C)C(=O)O)C(=O)C2=CC=C(C=C2)OC)C
Mol Log P
3.405000000000002
In Ch Ikey
JZMUCLZEZUFWDA-SUMWQHHRSA-N
Num Hdonors
1
Drug Likeness
0.863
Num Hacceptors
3
Isomeric Smiles
C[C@@]1(CC[C@H](C1(C)C)C(=O)C2=CC=C(C=C2)OC)C(=O)O
Canonical Smiles
CC1(C(CCC1(C)C(=O)O)C(=O)C2=CC=C(C=C2)OC)C
Herb Alias Names
4-Anisoyl-3-(1,2,2-trimethylcyclopentane carboxylic acid)82801-37-4para-Anisoyl-3-(1,2,2-trimethyl-cyclopentane carboxylic acid)PATCCyclopentanecarboxylic acid, 3-(4-methoxybenzoyl)-1,2,2-trimethyl-, labeled with carbon-14, cis-(+-)-MLS001868631CHEMBL1553259DTXSID301002907HMS2204I04NCGC00247401-01
Molecular Formula
C17H22O4
Molecular Formula
C17H22O4
Num Rotatable Bonds
4