Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 1Herb: 2Ingredient: 1Reference: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27855
- Core Entity Id
- 34146
- Source Entity Count
- 1
- Preferred Name
- Nonylphenol
- Name En
- Pubchem Id
- 67296
- Smiles Canonical
- CCCCCCCCCC1=CC=CC=C1O
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- SNQQPOLDUKLAAF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3
- Isomeric Smiles
- CCCCCCCCCC1=CC=CC=C1O
- Cas Id
- Ob Score
- Mol Logp
- 4.6853
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.6300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nonyl phenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Nonylphenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nonylphenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Nonylphenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
nonylphenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
136-83-4
Role
alias
Source
HERB_v2
Preferred
No
Name
136-83-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Nonylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Nonylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
25154-52-3
Role
alias
Source
HERB_v2
Preferred
No
Name
25154-52-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 205-263-7
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 205-263-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nonyl phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Nonyl phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2-nonyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2-nonyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, nonyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, nonyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-24R8721A3S
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-24R8721A3S
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Nonylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Nonylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-Nonylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Nonylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Nonyl phenol136-83-42-Nonylphenol25154-52-3EINECS 205-263-7Phenol, 2-nonyl-Phenol, nonyl-UNII-24R8721A3Sn-Nonylphenolo-Nonylphenol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037271
Npass
NPC238988
Tcmid
15692
Sym Map
SMIT25743
Pub Chem
67296
Tcmbank
TCMBANKIN026178
Etcm Ingredient
Nonyl phenol
Itcmdb Generated
ITX-INGREDIENT-2487F85283FDITX-INGREDIENT-6D1F3E72ABDB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3
Mol Wt
220.356
Smiles
CCCCCCCCCC1=CC=CC=C1O
Mol Log P
4.685300000000005
Version
v2
In Ch Ikey
SNQQPOLDUKLAAF-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.63
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCC1=CC=CC=C1O
Canonical Smiles
CCCCCCCCCC1=CC=CC=C1O
Herb Alias Names
2-NonylphenolPhenol, nonyl-25154-52-3o-Nonylphenol136-83-4Phenol, 2-nonyl-n-NonylphenolUNII-24R8721A3SEINECS 205-263-7Nonyl phenol
Molecular Weight
220.180
Molecular Weight
220.35 g/mol
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.041
Quantitative Estimate Of Drug Likeness（Qed）
0.753