Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7289
- Core Entity Id
- 11284
- Source Entity Count
- 1
- Preferred Name
- 6,11-dimethyl-2,6,10-dodecatrien-1-ol
- Name En
- Pubchem Id
- 5365863
- Smiles Canonical
- CC(=CCCC=C(C)CCC=CCO)C
- Molecular Formula
- C14H24O
- Molecular Weight
- 208.3450
- Inchikey
- BVLIMWXCOVQDNN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H24O/c1-13(2)9-6-7-11-14(3)10-5-4-8-12-15/h4,8-9,11,15H,5-7,10,12H2,1-3H3
- Isomeric Smiles
- CC(=CCCC=C(C)CCC=CCO)C
- Cas Id
- Ob Score
- 50.8240
- Mol Logp
- 4.0078
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,11-Dimethyl-2,6,10-Dodecatrien-1-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6,11-Dimethyl-2,6,10-Dodecatrien-1-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6,11-Dimethyl-2,6,10-dodecatrien-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,11-Dimethyl-2,6,10-dodecatrien-1-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6,11-dimethyl-2,6,10-dodecatrien-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,11-dimethyl-2,6,10-dodecatrien-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2E,6E)-6,11-dimethyldodeca-2,6,10-trien-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
457653-86-0
Role
alias
Source
HERB_v2
Preferred
No
Name
457653-86-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,11-dimethyl-2,6,10-dodecatrien-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID101016116
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID101016116
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E,6E)-6,11-dimethyldodeca-2,6,10-trien-1-ol457653-86-0DTXSID101016116
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011999
Npass
NPC33716
Tcmid
41005
Tcmsp
MOL004003
Sym Map
SMIT05993
Pub Chem
5365863549641
Tcmbank
TCMBANKIN023478
Etcm Ingredient
6,11-Dimethyl-2,6,10-dodecatrien-1-ol
Itcmdb Generated
ITX-INGREDIENT-6BEADA7C0385
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H24O/c1-13(2)9-6-7-11-14(3)10-5-4-8-12-15/h4,8-9,11,15H,5-7,10,12H2,1-3H3
Mol Wt
208.345
Smiles
CC(=CCCC=C(C)CCC=CCO)C
Mol Log P
4.007800000000003
Version
v1,v2
In Ch Ikey
BVLIMWXCOVQDNN-UHFFFAOYSA-N
Ob Score
50.82450.82413550.82413548
Suppress
0
Num Hdonors
1
Drug Likeness
0.495
Num Hacceptors
1
Isomeric Smiles
CC(=CCCC=C(C)CCC=CCO)C
Molecule Weight
208.38
Canonical Smiles
CC(=CCCC=C(C)CCC=CCO)C
Herb Alias Names
457653-86-0DTXSID101016116
Molecular Weight
208.180
Molecular Weight
208.34 g/mol
Molecular Formula
C14H24O
Molecular Formula
C14H24O
Molecular Formula
C14H24O
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.495