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: 3Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7188
- Core Entity Id
- 11171
- Source Entity Count
- 1
- Preferred Name
- 5-pentadecylresorcinol
- Name En
- Pubchem Id
- 76617
- Smiles Canonical
- CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
- Molecular Formula
- C21H36O2
- Molecular Weight
- 320.5170
- Inchikey
- KVVSCMOUFCNCGX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.7315
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.3730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Pentadecylresorcinol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5-Pentadecylresorcinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5-pentadecylresorcinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-pentadecylresorcinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-pentadecylresorcinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-pentadecylresorcinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3-Benzenediol, 5-pentadecyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Benzenediol, 5-pentadecyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3158-56-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
3158-56-3
Role
alias
Source
HERB_v2
Preferred
No
Name
5-pentadecylbenzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-pentadecylbenzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
Adipostatin A
Role
alias
Source
HERB_v2
Preferred
No
Name
Adipostatin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2120
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:2120
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cardol
Role
alias
Source
HERB_v2
Preferred
No
Name
Cardol
Role
alias
Source
itcmdb_public
Preferred
No
Name
RESORCINOL, 5-PENTADECYL
Role
alias
Source
HERB_v2
Preferred
No
Name
Resorcinol, 5-pentadecyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Resorcinol, pentadecyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Resorcinol, pentadecyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-Benzenediol, 5-pentadecyl-3158-56-35-pentadecylbenzene-1,3-diolAdipostatin ACHEBI:2120CardolRESORCINOL, 5-PENTADECYLResorcinol, 5-pentadecyl-Resorcinol, pentadecyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011874HBIN015185
Npass
NPC147310
Tcmid
35721911
Sym Map
SMIT21763
Pub Chem
76617
Tcmbank
TCMBANKIN061083
Etcm Ingredient
5-pentadecylresorcinol
Itcmdb Generated
ITX-INGREDIENT-2283CB8D8C71ITX-INGREDIENT-B4FF561BD037
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
Mol Wt
320.5169999999999
Smiles
CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
Mol Log P
6.731500000000008
Version
v2
In Ch Ikey
KVVSCMOUFCNCGX-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.373
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
Canonical Smiles
CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
Herb Alias Names
Adipostatin A3158-56-3Cardol5-pentadecylbenzene-1,3-diol1,3-Benzenediol, 5-pentadecyl-Resorcinol, pentadecyl-RESORCINOL, 5-PENTADECYLCHEBI:2120Resorcinol, 5-pentadecyl-
Molecular Weight
320.270
Molecular Weight
320.5 g/mol
Molecular Formula
C21H36O2
Molecular Formula
C21H36O2
Molecular Formula
C21H36O2
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.507
Quantitative Estimate Of Drug Likeness（Qed）
0.373