Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2260
- Core Entity Id
- 5700
- Source Entity Count
- 1
- Preferred Name
- 2-naphthalene methanol
- Name En
- Pubchem Id
- 74128
- Smiles Canonical
- C1=CC=C2C=C(C=CC2=C1)CO
- Molecular Formula
- C11H10O
- Molecular Weight
- 158.2000
- Inchikey
- MFGWMAAZYZSWMY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
- Isomeric Smiles
- C1=CC=C2C=C(C=CC2=C1)CO
- Cas Id
- Ob Score
- Mol Logp
- 2.3321
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2- Naphthalene Methanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2- Naphthalene Methanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2- naphthalene methanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-naphthalene methanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-naphthalene methanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-naphthalenemethanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2-Naphthyl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(naphthalen-2-yl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1592-38-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
1592-38-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxymethylnaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxymethylnaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-NAPHTHALENEMETHANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-NAPHTHALENEMETHANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Naphthylmethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Naphthylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Naphthylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
naphthalen-2-ylmethanol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2- Naphthalene Methanol2-naphthalenemethanol(2-Naphthyl)methanol(naphthalen-2-yl)methanol1592-38-72-Hydroxymethylnaphthalene2-Naphthylmethanolbeta-Naphthylcarbinolnaphthalen-2-ylmethanol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006110
Npass
NPC128645
Tcmid
33582
Sym Map
SMIT20569
Pub Chem
74128
Tcmbank
TCMBANKIN002996
Etcm Ingredient
2-naphthalenemethanol
Itcmdb Generated
ITX-INGREDIENT-251F130168FFITX-INGREDIENT-C81358278975
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
Mol Wt
158.2
Smiles
C1=CC=C2C=C(C=CC2=C1)CO
Mol Log P
2.3321
Version
v2
In Ch Ikey
MFGWMAAZYZSWMY-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.675
Num Hacceptors
1
Isomeric Smiles
C1=CC=C2C=C(C=CC2=C1)CO
Canonical Smiles
C1=CC=C2C=C(C=CC2=C1)CO
Herb Alias Names
2-NAPHTHALENEMETHANOL1592-38-7naphthalen-2-ylmethanol2-Naphthylmethanol(2-Naphthyl)methanol2-HydroxymethylnaphthaleneNaphthalen-2-yl-methanol(naphthalen-2-yl)methanolbeta-Naphthylcarbinol
Molecular Weight
158.070
Molecular Weight
158.2 g/mol
Molecular Formula
C11H10O
Molecular Formula
C11H10O
Molecular Formula
C11H10O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.099
Quantitative Estimate Of Drug Likeness（Qed）
0.675