Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1914
- Core Entity Id
- 5317
- Source Entity Count
- 1
- Preferred Name
- 2-hexyl-1-decanol
- Name En
- Pubchem Id
- 95337
- Smiles Canonical
- CCCCCCCCC(CCCCCC)CO
- Molecular Formula
- C16H34O
- Molecular Weight
- 242.4470
- Inchikey
- XULHFMYCBKQGEE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
- Isomeric Smiles
- CCCCCCCCC(CCCCCC)CO
- Cas Id
- 2425-77-6
- Ob Score
- 17.0770
- Mol Logp
- 5.3159
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.4340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Hexyl-1-Decanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Hexyl-1-Decanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Hexyl-1-decanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Hexyl-1-decanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-hexyl-1-decanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-hexyl-1-decanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Decanol, 2-hexyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Decanol, 2-hexyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Decanol,2-hexyl-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hexyldecan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hexyldecan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hexyldecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hexyldecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hexyldecyl Alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hexyldecyl Alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
2425-77-6
Role
alias
Source
HERB_v2
Preferred
No
Name
2425-77-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Guerbitol 16
Role
alias
Source
HERB_v2
Preferred
No
Name
Guerbitol 16
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexyldecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexyldecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isofol 16
Role
alias
Source
HERB_v2
Preferred
No
Name
Isofol 16
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rilanit G 16
Role
alias
Source
HERB_v2
Preferred
No
Name
Rilanit G 16
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Decanol, 2-hexyl-1-Decanol,2-hexyl-2-Hexyldecan-1-ol2-Hexyldecanol2-Hexyldecyl Alcohol2425-77-6Guerbitol 16HexyldecanolIsofol 16Rilanit G 16
Cross References
Trusted external identifiers retained for this final record.
Cas
2425-77-6
Herb
HBIN005687
Npass
NPC221022
Tcmid
33764
Tcmsp
MOL001922
Sym Map
SMIT04265
Pub Chem
95337
Tcmbank
TCMBANKIN032582
Etcm Ingredient
2-Hexyl-1-decanol
Itcmdb Generated
ITX-INGREDIENT-BDF01A0B9D37
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
Mol Wt
242.4469999999999
Cas Id
2425-77-6
Smiles
CCCCCCCCC(CCCCCC)CO
Mol Log P
5.315900000000006
Version
v1,v2
In Ch Ikey
XULHFMYCBKQGEE-UHFFFAOYSA-N
Ob Score
17.07717.07733117.07733115
Suppress
0
Num Hdonors
1
Drug Likeness
0.434
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCC(CCCCCC)CO
Molecule Weight
242.5
Canonical Smiles
CCCCCCCCC(CCCCCC)CO
Herb Alias Names
2425-77-62-Hexyldecan-1-ol1-Decanol, 2-hexyl-Hexyldecanol2-Hexyldecyl Alcohol2-HexyldecanolGuerbitol 16Isofol 16Rilanit G 16
Molecular Weight
242.260
Molecular Weight
242.44
Molecular Formula
C16H34O
Molecular Formula
C16H34O
Molecular Formula
C16H34O
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.434