Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5543
- Core Entity Id
- 9352
- Source Entity Count
- 1
- Preferred Name
- 4-(3-hydroxypropyl)phenol
- Name En
- Pubchem Id
- 82452
- Smiles Canonical
- C1=CC(=CC=C1CCCO)O
- Molecular Formula
- C9H12O2
- Molecular Weight
- 152.1930
- Inchikey
- NJCVPQRHRKYSAZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
- Isomeric Smiles
- C1=CC(=CC=C1CCCO)O
- Cas Id
- 10210-17-0
- Ob Score
- 23.9497
- Mol Logp
- 1.3171
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-(3-Hydroxypropyl)Phenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-(3-Hydroxypropyl)Phenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-(3-hydroxypropyl)phenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-(3-hydroxypropyl)phenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-(3-hydroxypropyl)phenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-(3-hydroxypropyl)phenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
10210-17-0
Role
alias
Source
HERB_v2
Preferred
No
Name
10210-17-0
Role
alias
Source
TCMBank
Preferred
No
Name
10210-17-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
197416_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-Hydroxyphenyl)-1-propanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-Hydroxyphenyl)-1-propanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-Hydroxyphenyl)-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-Hydroxyphenyl)propan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-Hydroxyphenyl)propan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
3-(4-Hydroxyphenyl)propan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(p-Hydroxyphenyl)-1-propanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(p-Hydroxyphenyl)-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-(p-Hydroxyphenyl)-1-propanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(3-hydroxy-propyl)-phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(3-hydroxy-propyl)-phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-hydroxybenzenepropanol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-hydroxybenzenepropanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-12108
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenepropanol, 4-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzenepropanol, 4-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenepropanol, 4-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydro-p-coumaryl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydro-p-coumaryl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 233-511-4
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00002953
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00002953
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10210-17-0197416_ALDRICH3-(4-Hydroxyphenyl)-1-propanol3-(4-Hydroxyphenyl)propan-1-ol3-(p-Hydroxyphenyl)-1-propanol4-(3-hydroxy-propyl)-phenol4-hydroxybenzenepropanolAI3-12108Benzenepropanol, 4-hydroxy-Dihydro-p-coumaryl alcoholEINECS 233-511-4InChI=1/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7HMFCD00002953
Cross References
Trusted external identifiers retained for this final record.
Cas
10210-17-0
Herb
HBIN009908
Npass
NPC289688
Tcmsp
MOL010294
Sym Map
SMIT11353
Pub Chem
82452
Tcmbank
TCMBANKIN021596
Etcm Ingredient
4-(3-hydroxypropyl)phenol
Itcmdb Generated
ITX-INGREDIENT-8058B968C07F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
Mol Wt
152.193
Cas Id
10210-17-0
Smiles
C1=CC(=CC=C1CCCO)O
Mol Log P
1.317099999999999
Version
v1,v2
In Ch Ikey
NJCVPQRHRKYSAZ-UHFFFAOYSA-N
Ob Score
23.9496957223.94969623.95
Suppress
0
Num Hdonors
2
Drug Likeness
0.685
Num Hacceptors
2
Isomeric Smiles
C1=CC(=CC=C1CCCO)O
Molecule Weight
152.21
Canonical Smiles
C1=CC(=CC=C1CCCO)O
Herb Alias Names
3-(4-Hydroxyphenyl)-1-propanol10210-17-0Benzenepropanol, 4-hydroxy-3-(4-Hydroxyphenyl)propan-1-olDihydro-p-coumaryl alcoholMFCD000029534-(3-hydroxy-propyl)-phenol3-(p-Hydroxyphenyl)-1-propanol4-hydroxybenzenepropanol
Molecular Weight
152.080
Molecular Weight
152.19
Molecular Formula
C9H12O2
Molecular Formula
C9H12O2
Molecular Formula
C9H12O2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.019
Quantitative Estimate Of Drug Likeness（Qed）
0.685