Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 7Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13559
- Core Entity Id
- 18242
- Source Entity Count
- 1
- Preferred Name
- Camphorquinone
- Name En
- Pubchem Id
- 16211789
- Smiles Canonical
- CC1(C2CCC1(C(=O)C2=O)C)C
- Molecular Formula
- C10H14O2
- Molecular Weight
- 166.2200
- Inchikey
- VNQXSTWCDUXYEZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3
- Isomeric Smiles
- CC1(C2CCC1(C(=O)C2=O)C)C
- Cas Id
- 10334-26-6
- Ob Score
- 50.3150
- Mol Logp
- 1.5807
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
()-Camphorquinone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
()-Camphorquinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
()-Camphorquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Camphorquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Camphorquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Camphorquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+/-)-Camphorquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-bornane-2,3-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,4S)-1,7,7-trimethylnorbornane-2,3-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,4S)-1,7,7-trimethylnorbornane-2,3-quinone
Role
alias
Source
TCMBank
Preferred
No
Name
1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
10334-26-6
Role
alias
Source
TCMBank
Preferred
No
Name
10373-78-1
Role
alias
Source
HERB_v2
Preferred
No
Name
10373-78-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
124893_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2,3-Bornanedione
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Bornanedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
465-29-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
465-29-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:36778
Role
alias
Source
TCMBank
Preferred
No
Name
Camphor quinone
Role
alias
Source
HERB_v2
Preferred
No
Name
Camphoroquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
Camphoroquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-CAMPHORQUINONE
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-CAMPHORQUINONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC01555410
Role
alias
Source
TCMBank
Preferred
No
Name
bornane-2,3-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
bornane-2,3-dione
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
()-Camphorquinone(-)-Camphorquinone(+/-)-Camphorquinone(1R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione(1R)-bornane-2,3-dione(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione(1R,4S)-1,7,7-trimethylnorbornane-2,3-dione(1R,4S)-1,7,7-trimethylnorbornane-2,3-quinone1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione10334-26-610373-78-1124893_ALDRICH2,3-Bornanedione465-29-2CHEBI:36778Camphor quinoneCamphoroquinoneDL-CAMPHORQUINONEInChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3HZINC01555410bornane-2,3-dione
Cross References
Trusted external identifiers retained for this final record.
Cas
10334-26-6
Herb
HBIN019508
Tcmsp
MOL008770
Sym Map
SMIT09995
Pub Chem
1621178925208
Tcmbank
TCMBANKIN032806
Etcm Ingredient
(-)-Camphorquinone
Itcmdb Generated
ITX-INGREDIENT-0F48300D6236
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3
Mol Wt
166.22
Cas Id
10334-26-6
Smiles
CC1(C2CCC1(C(=O)C2=O)C)C
Mol Log P
1.5807
Version
v1,v2
In Ch Ikey
VNQXSTWCDUXYEZ-UHFFFAOYSA-N
Ob Score
50.31550.31529250.3152923
Suppress
0
Num Hdonors
0
Drug Likeness
0.512
Num Hacceptors
2
Isomeric Smiles
CC1(C2CCC1(C(=O)C2=O)C)C
Molecule Weight
166.24
Canonical Smiles
CC1(C2CCC1(C(=O)C2=O)C)C
Herb Alias Names
10373-78-1DL-CAMPHORQUINONE2,3-Bornanedione1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dioneCamphoroquinone465-29-2bornane-2,3-dioneCamphor quinone(+/-)-Camphorquinone
Molecular Weight
166.100
Molecular Weight
166.22
Molecular Formula
C10H14O2
Molecular Formula
C10H14O2
Molecular Formula
C10H14O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.187
Quantitative Estimate Of Drug Likeness（Qed）
0.512