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
- 1199
- Core Entity Id
- 4527
- Source Entity Count
- 1
- Preferred Name
- 2,6,10-trimethylundecan-2,9-dien-4-one
- Name En
- Pubchem Id
- 14339650
- Smiles Canonical
- CC(CCC=C(C)C)CC(=O)C=C(C)C
- Molecular Formula
- C14H24O
- Molecular Weight
- 208.3450
- Inchikey
- VKGAGBYMWRXVDJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H24O/c1-11(2)7-6-8-13(5)10-14(15)9-12(3)4/h7,9,13H,6,8,10H2,1-5H3
- Isomeric Smiles
- CC(CCC=C(C)C)CC(=O)C=C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.2943
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6,10-Trimethylundecan-2,9-Dien-4-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,6,10-Trimethylundecan-2,9-Dien-4-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,6,10-Trimethylundecan-2,9-dien-4-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6,10-trimethylundecan-2,9-dien-4-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,6,10-trimethylundecan-2,9-dien-4-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004830
Tcmid
42050
Sym Map
SMIT20539
Pub Chem
14339650
Tcmbank
TCMBANKIN024027
Itcmdb Generated
ITX-INGREDIENT-8285EE856E7D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H24O/c1-11(2)7-6-8-13(5)10-14(15)9-12(3)4/h7,9,13H,6,8,10H2,1-5H3
Mol Wt
208.345
Smiles
CC(CCC=C(C)C)CC(=O)C=C(C)C
Mol Log P
4.294300000000003
Version
v2
In Ch Ikey
VKGAGBYMWRXVDJ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.47
Num Hacceptors
1
Isomeric Smiles
CC(CCC=C(C)C)CC(=O)C=C(C)C
Canonical Smiles
CC(CCC=C(C)C)CC(=O)C=C(C)C
Molecular Weight
208.34 g/mol
Molecular Formula
C14H24O
Molecular Formula
C14H24O
Num Rotatable Bonds
6