Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 6Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10882
- Core Entity Id
- 15259
- Source Entity Count
- 1
- Preferred Name
- Anizol
- Name En
- Pubchem Id
- 7519
- Smiles Canonical
- COC1=CC=CC=C1
- Molecular Formula
- C7H8O
- Molecular Weight
- 108.1400
- Inchikey
- RDOXTESZEPMUJZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
- Isomeric Smiles
- COC1=CC=CC=C1
- Cas Id
- 100-66-3
- Ob Score
- 19.8820
- Mol Logp
- 1.6952
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anizol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Anizol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anizol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anizol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
100-66-3
Role
alias
Source
TCMBank
Preferred
No
Name
100-66-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
100-66-3
Role
alias
Source
HERB_v2
Preferred
No
Name
10520_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
123226_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
296295_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
96109_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-00042
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-017804
Role
alias
Source
TCMBank
Preferred
No
Name
ANISOLE
Role
alias
Source
HERB_v2
Preferred
No
Name
ANISOLE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anisol
Role
alias
Source
HERB_v2
Preferred
No
Name
Anisol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anisol
Role
alias
Source
TCMBank
Preferred
No
Name
Anisole
Role
alias
Source
TCMBank
Preferred
No
Name
Anisole [UN2222] [Flammable liquid]
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzene, methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
C01403
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16579
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 202-876-1
Role
alias
Source
TCMBank
Preferred
No
Name
Ether, methyl phenyl
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2097
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA Number 2097
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 44
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H
Role
alias
Source
TCMBank
Preferred
No
Name
METHOXY-BENZENE (ANISOL)
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxybenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Methoxybenzene
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxybenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl phenyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl phenyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl phenyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC7920
Role
alias
Source
TCMBank
Preferred
No
Name
Phenol methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol methyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
Phenol methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenoxymethane
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenoxymethane
Role
alias
Source
TCMBank
Preferred
No
Name
Phenoxymethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenyl methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenyl methyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
Phenyl methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
UN2222
Role
alias
Source
TCMBank
Preferred
No
Name
W209708_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: 1OR
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00897131
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
100-66-310520_FLUKA123226_SIAL296295_ALDRICH96109_FLUKAAI3-00042AIDS-017804ANISOLEAnisolAnisole [UN2222] [Flammable liquid]Benzene, methoxy-C01403CHEBI:16579EINECS 202-876-1Ether, methyl phenylFEMA No. 2097FEMA Number 2097HSDB 44InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1HMETHOXY-BENZENE (ANISOL)MethoxybenzeneMethyl phenyl etherNSC7920Phenol methyl etherPhenoxymethanePhenyl methyl etherUN2222W209708_ALDRICHWLN: 1ORZINC00897131
Cross References
Trusted external identifiers retained for this final record.
Cas
100-66-3
Herb
HBIN016194HBIN016198
Npass
NPC124576
Tcmid
1290
Tcmsp
MOL003579
Sym Map
SMIT05628
Tcm Id
176356757
Pub Chem
7519
Tcmbank
TCMBANKIN061865
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
Mol Wt
108.14
Cas Id
100-66-3
Smiles
COC1=CC=CC=C1
Mol Log P
1.6952
Version
v1,v2
In Ch Ikey
RDOXTESZEPMUJZ-UHFFFAOYSA-N
Ob Score
19.88219.8824546319.882455
Suppress
0
Num Hdonors
0
Drug Likeness
0.532
Num Hacceptors
1
Isomeric Smiles
COC1=CC=CC=C1
Molecule Weight
108.15
Canonical Smiles
COC1=CC=CC=C1
Herb Alias Names
ANISOLEMethoxybenzene100-66-3Benzene, methoxy-Methyl phenyl etherAnisolPhenyl methyl etherPhenoxymethanePhenol methyl ether
Molecular Weight
108.14
Molecular Formula
C7H8O
Molecular Formula
C7H8O
Num Rotatable Bonds
1