Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29296
- Core Entity Id
- 35749
- Source Entity Count
- 1
- Preferred Name
- Pel
- Name En
- Pubchem Id
- 31234
- Smiles Canonical
- C1=CC=C(C=C1)CCCO
- Molecular Formula
- C8H10O
- Molecular Weight
- 122.1670
- Inchikey
- VAJVDSVGBWFCLW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
- Isomeric Smiles
- C1=CC=C(C=C1)CCCO
- Cas Id
- 122-97-4
- Ob Score
- 36.5720
- Mol Logp
- 1.2214
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Benzeneethanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Benzeneethanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Benzeneethanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Benzeneethanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Benzenepropanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Benzenepropanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Benzenepropanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Benzenepropanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Benzyl Ethyl Alcohol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pel
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pel
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pel
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3-Hydroxypropyl)benzene
Role
alias
Source
TCMBank
Preferred
No
Name
.gamma.-Phenylpropyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Hydroxy-3-phenylpropane
Role
alias
Source
TCMBank
Preferred
No
Name
1-Propanol, 3-phenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
1-Propanol, phenyl-
Role
alias
Source
TCMBank
Preferred
No
Name
122-97-4
Role
alias
Source
TCMBank
Preferred
No
Name
122-97-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
122-97-4
Role
alias
Source
HERB_v2
Preferred
No
Name
1335-12-2
Role
alias
Source
TCMBank
Preferred
No
Name
140856_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-PHENYL-ETHANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-PHENYLETHANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Phenylethyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenylethyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Benzenepropanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Benzenepropanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Benzenepropanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-PHENYL-1-PROPANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-PHENYL-1-PROPANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Phenyl-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Phenyl-1-propanol (natural)
Role
alias
Source
TCMBank
Preferred
No
Name
3-Phenyl-n-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Phenylpropan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Phenylpropan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Phenylpropan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Phenylpropanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Phenylpropanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Phenylpropanol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Phenylpropanol-1
Role
alias
Source
TCMBank
Preferred
No
Name
3-Phenylpropyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Phenylpropyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Phenylpropyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-06-00-03198 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
60-12-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
60-12-8
Role
alias
Source
HERB_v2
Preferred
No
Name
79000_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-02067
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 1857542
Role
alias
Source
TCMBank
Preferred
No
Name
Benzeneethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzeneethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzyl carbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzyl carbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 3200
Role
alias
Source
TCMBank
Preferred
No
Name
Dihydrocinnamal alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 204-587-6
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 215-621-4
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2885
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrocinnamic alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydrocinnamic alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrocinnamic alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydrocinnamyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydrocinnamyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrocinnamyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00165987-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 16942
Role
alias
Source
TCMBank
Preferred
No
Name
Phenethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenethyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenethyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenylethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenylethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenylethyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenylethyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenylpropyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenylpropyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
W288500_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC01571261
Role
alias
Source
TCMBank
Preferred
No
Name
benzene propanol
Role
alias
Source
TCMBank
Preferred
No
Name
benzylethyl-alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
gamma-Phenylpropanol
Role
alias
Source
TCMBank
Preferred
No
Name
phenylpropyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BenzeneethanolBenzenepropanolBenzyl Ethyl Alcohol(3-Hydroxypropyl)benzene.gamma.-Phenylpropyl alcohol1-Hydroxy-3-phenylpropane1-Propanol, 3-phenyl-1-Propanol, phenyl-122-97-41335-12-2140856_ALDRICH2-PHENYL-ETHANOL2-PHENYLETHANOL2-Phenylethyl alcohol3-Benzenepropanol3-PHENYL-1-PROPANOL3-Phenyl-1-propanol (natural)3-Phenyl-n-propanol3-Phenylpropan-1-ol3-Phenylpropanol3-Phenylpropanol-13-Phenylpropyl alcohol4-06-00-03198 (Beilstein Handbook Reference)60-12-879000_FLUKAAI3-02067BRN 1857542Benzyl carbinolCCRIS 3200Dihydrocinnamal alcoholEINECS 204-587-6EINECS 215-621-4FEMA No. 2885Hydrocinnamic alcoholHydrocinnamyl alcoholInChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8HNCGC00165987-01NSC 16942PhenethanolPhenethyl alcoholPhenylethanolPhenylethyl alcoholPhenylpropyl alcoholW288500_ALDRICHZINC01571261benzene propanolbenzylethyl-alcoholgamma-Phenylpropanol
Cross References
Trusted external identifiers retained for this final record.
Cas
122-97-460-12-8
Hit
C0510
Herb
HBIN009456HBIN017762HBIN017775HBIN017866HBIN039070HBIN039534
Npass
NPC108218NPC199058NPC208302
Tcmid
17118228424456249732515936210
Tcmsp
MOL001300MOL003524
Sym Map
SMIT03744SMIT05583SMIT14453SMIT18788SMIT22549
Tcm Id
18042133663506386
Pub Chem
312346054
Tcmbank
TCMBANKIN058348
Drug Bank
DB02192
Itcmdb Generated
ITX-INGREDIENT-5898E4453BF1ITX-INGREDIENT-68DF58155551
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
Mol Wt
122.167136.194
Smiles
C1=CC=C(C=C1)CCCO
Mol Log P
1.22141.6115
Version
v1,v2v2
In Ch Ikey
VAJVDSVGBWFCLW-UHFFFAOYSA-NWRMNZCZEMHIOCP-UHFFFAOYSA-N
Ob Score
36.57236.5721085436.57210944.03444.03418878
Suppress
0
Num Hdonors
1
Drug Likeness
0.6250.669
Num Hacceptors
1
Isomeric Smiles
C1=CC=C(C=C1)CCCOC1=CC=C(C=C1)CCO
Molecule Weight
122.18136.21
Canonical Smiles
C1=CC=C(C=C1)CCCOC1=CC=C(C=C1)CCO
Herb Alias Names
2-PHENYLETHANOLPhenethyl alcohol60-12-8Phenylethyl alcoholPhenylethanolBenzyl carbinolPhenethanol2-Phenylethyl alcohol2-PHENYL-ETHANOL
Molecular Weight
136.19
Molecule Formula
C8H10O
Molecular Formula
C9H12O
Molecular Formula
C8H10OC9H12O
Num Rotatable Bonds
23