Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21824
- Core Entity Id
- 27444
- Source Entity Count
- 1
- Preferred Name
- Hydroxy-gamma-sanshool
- Name En
- Pubchem Id
- 14135317
- Smiles Canonical
- CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O
- Molecular Formula
- C18H27NO2
- Molecular Weight
- 289.4190
- Inchikey
- CRPPMKFSMRODIQ-JDXPBYPHSA-N
- Inchi
- InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+
- Isomeric Smiles
- C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O
- Cas Id
- 78886-66-5
- Ob Score
- Mol Logp
- 3.4546
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.3880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydroxy-gamma-Sanshool
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hydroxy-gamma-sanshool
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hydroxy-gamma-sanshool
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2E,4E,8Z,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E,8Z,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
Role
alias
Source
HERB_v2
Preferred
No
Name
78886-66-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
78886-66-5
Role
alias
Source
HERB_v2
Preferred
No
Name
C18H27NO2
Role
alias
Source
itcmdb_public
Preferred
No
Name
C18H27NO2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:81359
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:81359
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3086846
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3086846
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxy-I3-sanshool
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxy-I3-sanshool
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxy-_-sanshool
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxy-_-sanshool
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxy-g-sanshool
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxy-g-sanshool
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,8,10,12-tetradecapentaenoic acid; (2e,4e,8z,10e,12e)-form,2-hydroxy-2-methylpropylamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(2E,4E,8Z,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide78886-66-5C18H27NO2CHEBI:81359CHEMBL3086846Hydroxy-I3-sanshoolHydroxy-_-sanshoolHydroxy-g-sanshool2,4,8,10,12-tetradecapentaenoic acid; (2e,4e,8z,10e,12e)-form,2-hydroxy-2-methylpropylamide
Cross References
Trusted external identifiers retained for this final record.
Cas
78886-66-5
Herb
HBIN029773HBIN004269
Tcmid
192839741
Tcm Id
8902
Pub Chem
14135317
Tcmbank
TCMBANKIN005563
Etcm Ingredient
Hydroxy-gamma-Sanshool
Itcmdb Generated
ITX-INGREDIENT-D60B8EE8DA4A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+
Mol Wt
289.419
Mol Log P
3.454600000000002
In Ch Ikey
CRPPMKFSMRODIQ-JDXPBYPHSA-N
Num Hdonors
2
Drug Likeness
0.388
Num Hacceptors
2
Isomeric Smiles
C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O
Canonical Smiles
CC=CC=CC=CCCC=CC=CC(=O)NCC(C)(C)O
Herb Alias Names
78886-66-5CHEBI:81359(2E,4E,8Z,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamideCHEMBL3086846C18H27NO2Hydroxy-g-sanshoolHydroxy-_-sanshoolHydroxy-I3-sanshoolHydroxy-??-sanshool
Molecular Weight
275.190
Molecular Weight
289.41
Molecular Formula
C17H25NO2
Molecular Formula
C18H27NO2
Molecular Formula
C18H27NO2
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.958
Quantitative Estimate Of Drug Likeness（Qed）
0.527