Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9229
- Core Entity Id
- 13424
- Source Entity Count
- 1
- Preferred Name
- 9(r)-hode
- Name En
- Pubchem Id
- 16061059
- Smiles Canonical
- CCCCCC=CC=CC(CCCCCCCC(=O)O)O
- Molecular Formula
- C18H32O3
- Molecular Weight
- 296.4510
- Inchikey
- NPDSHTNEKLQQIJ-WXUVIADPSA-N
- Inchi
- InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m0/s1
- Isomeric Smiles
- CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)O)O
- Cas Id
- Ob Score
- 36.4267
- Mol Logp
- 4.8553
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.3550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9(R)-Hode
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
9(R)-HODE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9(R)-HODE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9(R)-Hode
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9(r)-hode
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
9(r)-hode
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(9R,10E,12Z)-9-Hydroxy-10,12-octadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(9R,10E,12Z)-9-Hydroxy-10,12-octadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(9R,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(9R,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(9R,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
10,12-Octadecadienoic acid, 9-hydroxy-, (9R,10E,12Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
10,12-Octadecadienoic acid, 9-hydroxy-, (9R,10E,12Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
10075-11-3
Role
alias
Source
HERB_v2
Preferred
No
Name
10075-11-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
9R-HODE
Role
alias
Source
itcmdb_public
Preferred
No
Name
9R-HODE
Role
alias
Source
HERB_v2
Preferred
No
Name
9R-hydroxy-10E,12Z-octadecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
9R-hydroxy-10E,12Z-octadecadienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
9R-hydroxy-10E,12Z-octadecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
BSPBio_001485
Role
alias
Source
TCMBank
Preferred
No
Name
G6CFV4K3WV
Role
alias
Source
HERB_v2
Preferred
No
Name
G6CFV4K3WV
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA02000036
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00163396-01
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-G6CFV4K3WV
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-G6CFV4K3WV
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Dimorphecolic acid, (9R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Dimorphecolic acid, (9R)-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(9R,10E,12Z)-9-Hydroxy-10,12-octadecadienoic acid(9R,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid10,12-Octadecadienoic acid, 9-hydroxy-, (9R,10E,12Z)-10075-11-39R-HODE9R-hydroxy-10E,12Z-octadecadienoic acidBSPBio_001485G6CFV4K3WVLMFA02000036NCGC00163396-01UNII-G6CFV4K3WValpha-Dimorphecolic acid, (9R)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014182
Npass
NPC1504
Tcmsp
MOL002220
Sym Map
SMIT04510
Pub Chem
16061059
Tcmbank
TCMBANKIN007558
Etcm Ingredient
9(R)-HODE
Itcmdb Generated
ITX-INGREDIENT-082655ADEAD5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m0/s1
Mol Wt
296.4509999999999
Smiles
CCCCCC=CC=CC(CCCCCCCC(=O)O)O
Mol Log P
4.855300000000004
Version
v1,v2
In Ch Ikey
NPDSHTNEKLQQIJ-WXUVIADPSA-N
Ob Score
36.42671436.4267143436.427
Suppress
0
Num Hdonors
2
Drug Likeness
0.355
Num Hacceptors
2
Isomeric Smiles
CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)O)O
Molecule Weight
296.5
Canonical Smiles
CCCCCC=CC=CC(CCCCCCCC(=O)O)O
Herb Alias Names
10075-11-39R-HODE9R-hydroxy-10E,12Z-octadecadienoic acidG6CFV4K3WV10,12-Octadecadienoic acid, 9-hydroxy-, (9R,10E,12Z)-(9R,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acidalpha-Dimorphecolic acid, (9R)-(9R,10E,12Z)-9-Hydroxy-10,12-octadecadienoic acidUNII-G6CFV4K3WV
Molecular Weight
296.240
Molecular Weight
296.4 g/mol
Molecular Formula
C18H32O3
Molecular Formula
C18H32O3
Molecular Formula
C18H32O3
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.941
Quantitative Estimate Of Drug Likeness（Qed）
0.355