Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14596
- Core Entity Id
- 19388
- Source Entity Count
- 1
- Preferred Name
- Cis-1,4-dimethyl-2-methylene-cyclohexane
- Name En
- Pubchem Id
- 91694386
- Smiles Canonical
- CC1CCC(C(=C)C1)C
- Molecular Formula
- C9H16
- Molecular Weight
- 124.2270
- Inchikey
- WFDLHRVMODABGC-JGVFFNPUSA-N
- Inchi
- InChI=1S/C9H16/c1-7-4-5-8(2)9(3)6-7/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@H](C(=C)C1)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9987
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cis-1,4-Dimethyl-2-Methylene-Cyclohexane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cis-1,4-Dimethyl-2-Methylene-Cyclohexane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cis-1,4-dimethyl-2-methylene-cyclohexane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cis-1,4-dimethyl-2-methylene-cyclohexane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cis-1,4-dimethyl-2-methylene-cyclohexane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4-Dimethyl-2-methylenecyclohexane #
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Dimethyl-2-methylenecyclohexane #
Role
alias
Source
HERB_v2
Preferred
No
Name
WFDLHRVMODABGC-JGVFFNPUSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
WFDLHRVMODABGC-JGVFFNPUSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-1,4-Dimethyl-2-methylenecyclohexane
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-1,4-Dimethyl-2-methylenecyclohexane
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4-Dimethyl-2-methylenecyclohexane #WFDLHRVMODABGC-JGVFFNPUSA-Ncis-1,4-Dimethyl-2-methylenecyclohexane
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020743
Tcmid
41212
Sym Map
SMIT22990
Pub Chem
91694386
Tcmbank
TCMBANKIN031325
Itcmdb Generated
ITX-INGREDIENT-BFDC48683729
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H16/c1-7-4-5-8(2)9(3)6-7/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
Mol Wt
124.227
Smiles
CC1CCC(C(=C)C1)C
Mol Log P
2.998700000000001
Version
v2
In Ch Ikey
WFDLHRVMODABGC-JGVFFNPUSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.435
Num Hacceptors
0
Isomeric Smiles
C[C@H]1CC[C@H](C(=C)C1)C
Canonical Smiles
CC1CCC(C(=C)C1)C
Herb Alias Names
cis-1,4-Dimethyl-2-methylenecyclohexaneWFDLHRVMODABGC-JGVFFNPUSA-N1,4-Dimethyl-2-methylenecyclohexane #
Molecular Weight
124.22 g/mol
Molecular Formula
C9H16
Molecular Formula
C9H16
Num Rotatable Bonds
0