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
- 5551
- Core Entity Id
- 9361
- Source Entity Count
- 1
- Preferred Name
- 4,4,6-trimethyl-cyclohex-2-en-1-ol
- Name En
- Pubchem Id
- 558612
- Smiles Canonical
- CC1CC(C=CC1O)(C)C
- Molecular Formula
- C9H16O
- Molecular Weight
- 140.2260
- Inchikey
- NRODQAAVEUMKOS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H16O/c1-7-6-9(2,3)5-4-8(7)10/h4-5,7-8,10H,6H2,1-3H3
- Isomeric Smiles
- CC1CC(C=CC1O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 1.9695
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,4,6-Trimethyl-cyclohex-2-en-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,4,6-trimethyl-cyclohex-2-en-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4,4,6-trimethyl-cyclohex-2-en-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-Cyclohexen-1-ol, 4,4,6-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Cyclohexen-1-ol, 4,4,6-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
21592-95-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
21592-95-0
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4,6-Trimethyl-2-cyclohexen-1-ol #
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4,6-Trimethyl-2-cyclohexen-1-ol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30339779
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30339779
Role
alias
Source
itcmdb_public
Preferred
No
Name
NRODQAAVEUMKOS-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
NRODQAAVEUMKOS-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Cyclohexen-1-ol, 4,4,6-trimethyl-21592-95-04,4,6-Trimethyl-2-cyclohexen-1-ol #DTXSID30339779NRODQAAVEUMKOS-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009917
Tcmid
40829
Pub Chem
558612
Tcmbank
TCMBANKIN026072
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H16O/c1-7-6-9(2,3)5-4-8(7)10/h4-5,7-8,10H,6H2,1-3H3
Mol Wt
140.226
Smiles
CC1CC(C=CC1O)(C)C
Mol Log P
1.9695
In Ch Ikey
NRODQAAVEUMKOS-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.51
Num Hacceptors
1
Isomeric Smiles
CC1CC(C=CC1O)(C)C
Canonical Smiles
CC1CC(C=CC1O)(C)C
Herb Alias Names
21592-95-02-Cyclohexen-1-ol, 4,4,6-trimethyl-DTXSID30339779NRODQAAVEUMKOS-UHFFFAOYSA-N4,4,6-Trimethyl-2-cyclohexen-1-ol #
Molecular Weight
140.22 g/mol
Molecular Formula
C9H16O
Molecular Formula
C9H16O
Num Rotatable Bonds
0