Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20726
- Core Entity Id
- 26219
- Source Entity Count
- 1
- Preferred Name
- Grevillol
- Name En
- Pubchem Id
- 174862
- Smiles Canonical
- CCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
- Molecular Formula
- C19H32O2
- Molecular Weight
- 292.4630
- Inchikey
- UXOGOSLLGMYCNL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.9513
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.4670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Grevillol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Grevillol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
grevillol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3-Benzenediol, 5-tridecyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Benzenediol, 5-tridecyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Tridecyl-1,2-benzenediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Tridecyl-1,2-benzenediol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Tridecylresorcinol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Tridecylresorcinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-tridecylbenzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-tridecylbenzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5259-01-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
5259-01-8
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L5BP0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L5BP0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:5545
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5545
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL451044
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL451044
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-Benzenediol, 5-tridecyl-5-Tridecyl-1,2-benzenediol5-Tridecylresorcinol5-tridecylbenzene-1,3-diol5259-01-8AC1L5BP0CHEBI:5545CHEMBL451044
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028412
Npass
NPC137415
Tcmid
8996
Pub Chem
174862
Tcmbank
TCMBANKIN025026
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h14-16,20-21H,2-13H2,1H3
Mol Wt
292.463
Smiles
CCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
Mol Log P
5.951300000000007
In Ch Ikey
UXOGOSLLGMYCNL-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.467
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
Canonical Smiles
CCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
Herb Alias Names
5-Tridecylresorcinol5-tridecylbenzene-1,3-diol5259-01-85-tridecyl resorcinol5-Tridecyl-1,2-benzenediolCHEBI:5545CHEMBL4510441,3-Benzenediol, 5-tridecyl-AC1L5BP0
Molecular Weight
292.5 g/mol
Molecular Formula
C19H32O2
Molecular Formula
C19H32O2
Num Rotatable Bonds
12