Relationship Network
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3665
- Core Entity Id
- 7260
- Source Entity Count
- 1
- Preferred Name
- Hexahydrofamesol
- Name En
- Pubchem Id
- 138824
- Smiles Canonical
- CC(C)CCCC(C)CCCC(C)CCO
- Molecular Formula
- C15H32O
- Molecular Weight
- 228.4200
- Inchikey
- HDPUXESLSOZSIB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3
- Isomeric Smiles
- CC(C)CCCC(C)CCCC(C)CCO
- Cas Id
- 6750-34-1
- Ob Score
- 11.8727
- Mol Logp
- 4.6376
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.5770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,7,11-Trimethyl-1-Dodecanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,7,11-Trimethyl-1-Dodecanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,7,11-trimethyl-1-dodecanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,7,11-trimethyl-1-dodecanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,7,11-trimethyl-1-dodecanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,7,11-trimethyl-1-dodecanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hexahydrofamesol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hexahydrofamesol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hexahydrofamesol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Dodecanol, 3,7,11-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Dodecanol,3,7,11-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-dodecanol 3,7,11-trimethyl
Role
alias
Source
TCMBank
Preferred
No
Name
3,7,11-Trimethyl-1-dodecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,7,11-Trimethyl-1-dodecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,7,11-trimethyldodecan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,7,11-trimethyldodecan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
66J3UW66VV
Role
alias
Source
HERB_v2
Preferred
No
Name
66J3UW66VV
Role
alias
Source
itcmdb_public
Preferred
No
Name
6750-34-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
6750-34-1
Role
alias
Source
HERB_v2
Preferred
No
Name
FARNESANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
FARNESANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexa-hydro-farnesol
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-66J3UW66VV
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-66J3UW66VV
Role
alias
Source
HERB_v2
Preferred
No
Name
hexahydrofarnesol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,7,11-Trimethyl-1-Dodecanol1-Dodecanol, 3,7,11-trimethyl-1-Dodecanol,3,7,11-trimethyl-1-dodecanol 3,7,11-trimethyl3,7,11-trimethyldodecan-1-ol66J3UW66VV6750-34-1FARNESANOLHexa-hydro-farnesolUNII-66J3UW66VVhexahydrofarnesol
Cross References
Trusted external identifiers retained for this final record.
Cas
6750-34-1
Herb
HBIN007753HBIN029302
Npass
NPC216858
Tcmid
38000
Tcmsp
MOL001711
Sym Map
SMIT04081
Pub Chem
138824
Tcmbank
TCMBANKIN009720TCMBANKIN059256
Etcm Ingredient
3,7,11-trimethyl-1-dodecanol
Itcmdb Generated
ITX-INGREDIENT-2DAE5F3C90EE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H32O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-12H2,1-4H3
Mol Wt
228.42
Cas Id
6750-34-1
Smiles
CC(C)CCCC(C)CCCC(C)CCO
Mol Log P
4.637600000000005
Version
v1,v2
In Ch Ikey
HDPUXESLSOZSIB-UHFFFAOYSA-N
Ob Score
11.8727138311.87271411.873
Suppress
0
Num Hdonors
1
Drug Likeness
0.577
Num Hacceptors
1
Isomeric Smiles
CC(C)CCCC(C)CCCC(C)CCO
Molecule Weight
228.47
Canonical Smiles
CC(C)CCCC(C)CCCC(C)CCO
Herb Alias Names
hexahydrofarnesol6750-34-13,7,11-trimethyldodecan-1-ol1-Dodecanol, 3,7,11-trimethyl-Hexa-hydro-farnesol1-Dodecanol,3,7,11-trimethyl-FARNESANOL66J3UW66VVUNII-66J3UW66VV
Molecular Weight
228.250
Molecular Weight
228.41
Molecular Formula
C15H32O
Molecular Formula
C15H32O
Molecular Formula
C15H32O
Num Rotatable Bonds
10
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.577