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: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17944
- Core Entity Id
- 23120
- Source Entity Count
- 1
- Preferred Name
- Eicosanol
- Name En
- Pubchem Id
- 12404
- Smiles Canonical
- O([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])( [H])C([H])([H])C([H])([H])[H]
- Molecular Formula
- C20H42O
- Molecular Weight
- 298.5550
- Inchikey
- BTFJIXJJCSYFAL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCO
- Cas Id
- 629-96-9
- Ob Score
- 12.0973
- Mol Logp
- 7.0204
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 18
- Drug Likeness
- 0.2690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eicosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eicosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Eicosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eicosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
苦草;紫草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KU CAO I;ZI CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
EeIgrass;Redroot Gromwell
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-EICOSANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
1-EICOSANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
629-96-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
629-96-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Arachic alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Arachic alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arachidic alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arachidic alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Arachidyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Arachidyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eicosyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Eicosyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Icosan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Icosan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Eicosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Eicosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
eicosan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
eicosan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
eicosanol;n-eicosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
苦草;紫草KU CAO I;ZI CAOEeIgrass;Redroot Gromwell1-EICOSANOL629-96-9Arachic alcoholArachidic alcoholArachidyl alcoholEicosyl alcoholIcosan-1-olN-Eicosanoleicosan-1-oleicosanol;n-eicosanol
Cross References
Trusted external identifiers retained for this final record.
Cas
629-96-9
Herb
HBIN024945HBIN036526
Npass
NPC272998
Tcmid
392866721
Tcmsp
MOL005705
Sym Map
SMIT01393SMIT07429
Tcm Id
4668
Pub Chem
12404
Tcmbank
TCMBANKIN055839TCMBANKIN061161
Itcmdb Generated
ITX-INGREDIENT-47245D596CEB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
Mol Wt
298.5549999999999
Cas Id
629-96-9
Smiles
O([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(
[H])C([H])([H])C([H])([H])[H]
Mol Log P
7.020400000000008
Version
v1,v2
In Ch Ikey
BTFJIXJJCSYFAL-UHFFFAOYSA-N
Ob Score
12.09734315
Suppress
1
Tcm Name
苦草;紫草
Tcm Name2
KU CAO I;ZI CAO
Mol2 Path
/TCM_database/2003_3d_all/2673.mol2
Reference
6, 660
Num Hdonors
1
Tcm Name En
EeIgrass;Redroot Gromwell
Drug Likeness
0.269
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCO
Molecule Weight
298.551|298.62
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCO
Herb Alias Names
1-EICOSANOLIcosan-1-ol629-96-9Arachidyl alcoholArachidic alcoholArachic alcoholEicosyl alcoholN-Eicosanoleicosan-1-ol
Molecular Weight
298.55
Molecule Formula
C20H42O
Molecular Formula
C20H42O
Molecular Formula
C20H42O
Num Rotatable Bonds
18
Link Ingredient Id
1393.0