Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 2Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14332
- Core Entity Id
- 19097
- Source Entity Count
- 1
- Preferred Name
- Chrysanthemic acid
- Name En
- Pubchem Id
- 2743
- Smiles Canonical
- CC(=CC1C(C1(C)C)C(=O)O)C
- Molecular Formula
- C10H16O2
- Molecular Weight
- 168.2360
- Inchikey
- XLOPRKKSAJMMEW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)
- Isomeric Smiles
- CC(=CC1C(C1(C)C)C(=O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.3094
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chrysanthemic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Chrysanthemic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chrysanthemic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chrysanthemic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
chrysanthemic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10453-89-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
10453-89-1
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 2496
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 2496
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysanthemumic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysanthemumic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysanthemummonocarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysanthemummonocarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysanthemumsaeure
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysanthemumsaeure
Role
alias
Source
HERB_v2
Preferred
No
Name
D,L-cis,trans-Chrysanthemic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
D,L-cis,trans-Chrysanthemic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 233-941-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 233-941-2
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 11779
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 11779
Role
alias
Source
itcmdb_public
Preferred
No
Name
chrysanthemicacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10453-89-13-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acidCCRIS 2496Chrysanthemumic acidChrysanthemummonocarboxylic acidChrysanthemumsaeureD,L-cis,trans-Chrysanthemic acidEINECS 233-941-2NSC 11779chrysanthemicacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020428
Npass
NPC67367
Tcmid
307723593
Sym Map
SMIT22921
Pub Chem
2743
Tcmbank
TCMBANKIN008526
Etcm Ingredient
Chrysanthemic acid
Itcmdb Generated
ITX-INGREDIENT-0508B8C4A7F6ITX-INGREDIENT-5A49C81C3462
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)
Mol Wt
168.236
Smiles
CC(=CC1C(C1(C)C)C(=O)O)C
Mol Log P
2.3094
Version
v2
In Ch Ikey
XLOPRKKSAJMMEW-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.642
Num Hacceptors
1
Isomeric Smiles
CC(=CC1C(C1(C)C)C(=O)O)C
Canonical Smiles
CC(=CC1C(C1(C)C)C(=O)O)C
Herb Alias Names
10453-89-1Chrysanthemumic acidChrysanthemummonocarboxylic acidNSC 11779D,L-cis,trans-Chrysanthemic acidCCRIS 24963-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acidChrysanthemumsaeureEINECS 233-941-2
Molecular Weight
168.120
Molecular Weight
168.23 g/mol
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.642