Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 9Ingredient: 1Target: 6Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36120
- Core Entity Id
- 43338
- Source Entity Count
- 1
- Preferred Name
- Tip-nip
- Name En
- Pubchem Id
- 8184
- Smiles Canonical
- CCCCCCCCCCCO
- Molecular Formula
- C11H24O
- Molecular Weight
- 172.3120
- Inchikey
- KJIOQYGWTQBHNH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCO
- Cas Id
- 112-42-5
- Ob Score
- 21.9440
- Mol Logp
- 3.5095
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.5280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tip-Nip
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Tip-Nip
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tip-nip
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tip-nip
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Undecyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Undecyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
undecyl alcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Hendecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hendecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-UNDECANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-UNDECANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
112-42-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
112-42-5
Role
alias
Source
HERB_v2
Preferred
No
Name
Alcohol C-11
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alcohol C-11
Role
alias
Source
HERB_v2
Preferred
No
Name
Hendecyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hendecyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Undecan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Undecan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Undecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Undecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Undecyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Undecyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Undecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Undecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Undecyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Undecyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Undecyl alcohol1-Hendecanol1-UNDECANOL112-42-5Alcohol C-11Hendecyl alcoholUndecan-1-olUndecanoln-Undecanoln-Undecyl alcohol
Cross References
Trusted external identifiers retained for this final record.
Cas
112-42-5
Herb
HBIN003362HBIN046479HBIN047543
Npass
NPC112242NPC12766
Tcmid
22210
Tcmsp
MOL001230
Sym Map
SMIT03679
Tcm Id
9090
Pub Chem
8184
Tcmbank
TCMBANKIN041974TCMBANKIN061180
Itcmdb Generated
ITX-INGREDIENT-527E2D9F671A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
Mol Wt
172.312
Cas Id
112-42-5
Smiles
CCCCCCCCCCCO
Mol Log P
3.509500000000002
Version
v1,v2
In Ch Ikey
KJIOQYGWTQBHNH-UHFFFAOYSA-N
Ob Score
21.94421.94421221.94421249
Suppress
0
Tcm Name
黑蚂蚁
Tcm Name2
HEI MA YI
Mol2 Path
/TCM_database/2007_3d_all/22226.mol2
Reference
6
Num Hdonors
1
Tcm Name En
Silky Ant
Drug Likeness
0.528
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCO
Molecule Weight
172.35
Canonical Smiles
CCCCCCCCCCCO
Herb Alias Names
1-UNDECANOLUndecan-1-ol112-42-5Undecyl alcoholUndecanoln-Undecanoln-Undecyl alcoholHendecyl alcohol1-HendecanolAlcohol C-11
Molecular Weight
172.31 g/mol
Molecular Formula
C11H24O
Molecular Formula
C11H24O
Num Rotatable Bonds
9