Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6421
- Core Entity Id
- 10317
- Source Entity Count
- 1
- Preferred Name
- 506-43-4
- Name En
- Pubchem Id
- 5365682
- Smiles Canonical
- CCCCCC=CCC=CCCCCCCCCO
- Molecular Formula
- C18H34O
- Molecular Weight
- 266.4690
- Inchikey
- JXNPEDYJTDQORS-HZJYTTRNSA-N
- Inchi
- InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9-
- Isomeric Smiles
- CCCCC/C=C\C/C=C\CCCCCCCCO
- Cas Id
- 506-43-4
- Ob Score
- 37.7598
- Mol Logp
- 5.7922
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.3110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
506-43-4
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
506-43-4
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
506-43-4
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
506-43-4
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Linoleyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Linoleyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
linoleyl alcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(9Z,12Z)-Octadeca-9,12-dien-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(9Z,12Z)-Octadeca-9,12-dien-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(9Z,12Z)-octadecadien-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(9Z,12Z)-octadecadien-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z,Z)-octadeca-9,12-dien-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z,Z)-octadeca-9,12-dien-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
506-43-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
506-43-4
Role
alias
Source
HERB_v2
Preferred
No
Name
9,12-Octadecadien-1-ol, (Z,Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9,12-Octadecadien-1-ol, (Z,Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-cis,12-cis-octadecadien-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
9-cis,12-cis-octadecadien-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CIS,CIS-9,12-OCTADECADIENOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
CIS,CIS-9,12-OCTADECADIENOL
Role
alias
Source
HERB_v2
Preferred
No
Name
Linoleyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Linoleyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis,cis-9,12-Octadecadien-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
cis,cis-9,12-Octadecadien-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis,cis-Octadeca-9,12-dien-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
cis,cis-Octadeca-9,12-dien-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Linoleyl alcohol(9Z,12Z)-Octadeca-9,12-dien-1-ol(9Z,12Z)-octadecadien-1-ol(Z,Z)-octadeca-9,12-dien-1-ol9,12-Octadecadien-1-ol, (Z,Z)-9-cis,12-cis-octadecadien-1-olCIS,CIS-9,12-OCTADECADIENOLcis,cis-9,12-Octadecadien-1-olcis,cis-Octadeca-9,12-dien-1-ol
Cross References
Trusted external identifiers retained for this final record.
Cas
506-43-4
Herb
HBIN010942HBIN033347
Npass
NPC34973
Tcmid
33310
Tcmsp
MOL002204
Sym Map
SMIT04496
Pub Chem
5365682
Tcmbank
TCMBANKIN060884
Etcm Ingredient
506-43-4
Itcmdb Generated
ITX-INGREDIENT-E512313E230D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9-
Mol Wt
266.4689999999999
Cas Id
506-43-4
Smiles
CCCCCC=CCC=CCCCCCCCCO
Mol Log P
5.792200000000006
Version
v1,v2
In Ch Ikey
JXNPEDYJTDQORS-HZJYTTRNSA-N
Ob Score
37.75982737.7598273637.76
Suppress
0
Num Hdonors
1
Drug Likeness
0.311
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C\C/C=C\CCCCCCCCO
Molecule Weight
266.52
Canonical Smiles
CCCCCC=CCC=CCCCCCCCCO
Herb Alias Names
(9Z,12Z)-Octadeca-9,12-dien-1-olLinoleyl alcoholcis,cis-9,12-Octadecadien-1-olcis,cis-Octadeca-9,12-dien-1-ol(9Z,12Z)-octadecadien-1-olCIS,CIS-9,12-OCTADECADIENOL9-cis,12-cis-octadecadien-1-ol(Z,Z)-octadeca-9,12-dien-1-ol9,12-Octadecadien-1-ol, (Z,Z)-
Molecular Weight
266.260
Molecular Weight
266.46 g/mol
Molecular Formula
C18H34O
Molecular Formula
C18H34O
Molecular Formula
C18H34O
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.015
Quantitative Estimate Of Drug Likeness（Qed）
0.311