Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16033
- Core Entity Id
- 20989
- Source Entity Count
- 1
- Preferred Name
- (+)-cyperadione
- Name En
- Pubchem Id
- 85806500
- Smiles Canonical
- CC1CCC2CC(=O)C1(C2(C)C)CCC(=O)C
- Molecular Formula
- C15H24O2
- Molecular Weight
- 236.3550
- Inchikey
- JNYTXKVQDFVROJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H24O2/c1-10-5-6-12-9-13(17)15(10,14(12,3)4)8-7-11(2)16/h10,12H,5-9H2,1-4H3
- Isomeric Smiles
- CC1CCC2CC(=O)C1(C2(C)C)CCC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3871
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-Cyperadione
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+)-Cyperadione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-Cyperadione
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-cyperadione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-cyperadione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-cyperadione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1R,4R,5R)-4,8,8-Trimethyl-5-(3-oxobutyl)bicyclo[3.2.1]octan-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,4R,5R)-4,8,8-Trimethyl-5-(3-oxobutyl)bicyclo[3.2.1]octan-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bicyclo[3.2.1]octan-6-one, 4,8,8-trimethyl-5-(3-oxobutyl)-, (1R,4R,5R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclo[3.2.1]octan-6-one, 4,8,8-trimethyl-5-(3-oxobutyl)-, (1R,4R,5R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyperadion
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyperadion
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyperadione
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyperadione
Role
alias
Source
itcmdb_public
Preferred
No
Name
JNYTXKVQDFVROJ-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
JNYTXKVQDFVROJ-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R,4R,5R)-4,8,8-Trimethyl-5-(3-oxobutyl)bicyclo[3.2.1]octan-6-oneBicyclo[3.2.1]octan-6-one, 4,8,8-trimethyl-5-(3-oxobutyl)-, (1R,4R,5R)-CyperadionCyperadioneJNYTXKVQDFVROJ-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022492
Npass
NPC8075
Tcmid
4574
Sym Map
SMIT14875
Pub Chem
85806500
Tcmbank
TCMBANKIN048332
Etcm Ingredient
(+)-Cyperadione
Itcmdb Generated
ITX-INGREDIENT-FA56955317C4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24O2/c1-10-5-6-12-9-13(17)15(10,14(12,3)4)8-7-11(2)16/h10,12H,5-9H2,1-4H3
Mol Wt
236.3549999999999
Smiles
CC1CCC2CC(=O)C1(C2(C)C)CCC(=O)C
Mol Log P
3.387100000000002
Version
v1,v2
In Ch Ikey
JNYTXKVQDFVROJ-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/04575.mol2
Reference
5210
Num Hdonors
0
Drug Likeness
0.752
Num Hacceptors
2
Isomeric Smiles
CC1CCC2CC(=O)C1(C2(C)C)CCC(=O)C
Canonical Smiles
CC1CCC2CC(=O)C1(C2(C)C)CCC(=O)C
Herb Alias Names
CyperadionCyperadioneJNYTXKVQDFVROJ-UHFFFAOYSA-N(1R,4R,5R)-4,8,8-Trimethyl-5-(3-oxobutyl)bicyclo[3.2.1]octan-6-oneBicyclo[3.2.1]octan-6-one, 4,8,8-trimethyl-5-(3-oxobutyl)-, (1R,4R,5R)-
Molecular Weight
236.180
Molecule Formula
C15H24O2
Molecular Formula
C15H24O2
Molecular Formula
C15H24O2
Molecular Formula
C15H24O2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.283
Quantitative Estimate Of Drug Likeness（Qed）
0.752