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: 5Ingredient: 1Target: 2Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13757
- Core Entity Id
- 18461
- Source Entity Count
- 1
- Preferred Name
- Cardanol
- Name En
- Pubchem Id
- 11266523
- Smiles Canonical
- C=CCC=CCC=CCCCCCCCC1=CC(=CC=C1)O
- Molecular Formula
- C21H30O
- Molecular Weight
- 298.4700
- Inchikey
- JOLVYUIAMRUBRK-UTOQUPLUSA-N
- Inchi
- InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4-,8-7-
- Isomeric Smiles
- C=CC/C=C\C/C=C\CCCCCCCC1=CC(=CC=C1)O
- Cas Id
- Ob Score
- Mol Logp
- 6.3539
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.3520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cardanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cardanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cardanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cardanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cardanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-((8Z,11Z)-pentadeca-8,11,14-trienyl)phenol
Role
alias
Source
TCMBank
Preferred
No
Name
3-(8Z,11Z)-8,11,14-Pentadecatrien-1-ylphenol
Role
alias
Source
TCMBank
Preferred
No
Name
3-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]phenol
Role
alias
Source
TCMBank
Preferred
No
Name
3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
37330-39-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
37330-39-5
Role
alias
Source
HERB_v2
Preferred
No
Name
5-{8(Z),11(Z),14-Pentadecatrienyl}Phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-{8(Z),11(Z),14-Pentadecatrienyl}Phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-{8(Z),11(Z),14-Pentadecatrienyl}Phenol
Role
alias
Source
TCMBank
Preferred
No
Name
79353-39-2
Role
alias
Source
TCMBank
Preferred
No
Name
79353-39-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
79353-39-2
Role
alias
Source
HERB_v2
Preferred
No
Name
9H1349HESU
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H1349HESU
Role
alias
Source
HERB_v2
Preferred
No
Name
9H1349HESU
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50292426
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL470680
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL470680
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL470680
Role
alias
Source
HERB_v2
Preferred
No
Name
Cardanol
Role
alias
Source
TCMBank
Preferred
No
Name
Cardanol triene
Role
alias
Source
TCMBank
Preferred
No
Name
Cardanol triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cardanol triene
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00872880
Role
alias
Source
TCMBank
Preferred
No
Name
JOLVYUIAMRUBRK-UTOQUPLUSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
LMPK15010002
Role
alias
Source
TCMBank
Preferred
No
Name
Phenol, 3-(8,11,14-pentadecatrienyl)-, (Z,Z)-
Role
alias
Source
TCMBank
Preferred
No
Name
Phenol, 3-(8Z,11Z)-8,11,14-pentadecatrienyl-
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2290369
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-4TB1UYZ2LN component JOLVYUIAMRUBRK-UTOQUPLUSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-9H1349HESU
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)phenol3-((8Z,11Z)-pentadeca-8,11,14-trienyl)phenol3-(8Z,11Z)-8,11,14-Pentadecatrien-1-ylphenol3-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]phenol3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol37330-39-55-{8(Z),11(Z),14-Pentadecatrienyl}Phenol79353-39-29H1349HESUBDBM50292426CHEMBL470680Cardanol trieneDTXSID00872880JOLVYUIAMRUBRK-UTOQUPLUSA-NLMPK15010002Phenol, 3-(8,11,14-pentadecatrienyl)-, (Z,Z)-Phenol, 3-(8Z,11Z)-8,11,14-pentadecatrienyl-SCHEMBL2290369UNII-4TB1UYZ2LN component JOLVYUIAMRUBRK-UTOQUPLUSA-NUNII-9H1349HESU
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019724
Npass
NPC192
Tcmid
3188
Sym Map
SMIT14579
Pub Chem
11266523
Tcmbank
TCMBANKIN008573
Etcm Ingredient
Cardanol
Itcmdb Generated
ITX-INGREDIENT-B3C2E1721BC2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4-,8-7-
Mol Wt
298.4699999999999
Smiles
C=CCC=CCC=CCCCCCCCC1=CC(=CC=C1)O
Mol Log P
6.353900000000007
Version
v1,v2
In Ch Ikey
JOLVYUIAMRUBRK-UTOQUPLUSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.352
Num Hacceptors
1
Isomeric Smiles
C=CC/C=C\C/C=C\CCCCCCCC1=CC(=CC=C1)O
Canonical Smiles
C=CCC=CCC=CCCCCCCCC1=CC(=CC=C1)O
Herb Alias Names
Cardanol triene79353-39-23-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol37330-39-53-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)phenol9H1349HESUCHEMBL4706803-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]phenol5-{8(Z),11(Z),14-Pentadecatrienyl}Phenol
Molecular Weight
302.260
Molecular Weight
298.5 g/mol
Molecule Formula
C21H34O
Molecular Formula
C21H34O
Molecular Formula
C21H30O
Molecular Formula
C21H30O
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.340
Quantitative Estimate Of Drug Likeness（Qed）
0.314