Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 13Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2099
- Core Entity Id
- 5522
- Source Entity Count
- 1
- Preferred Name
- 2-methoxy-5-[(z)-prop-1-enyl]phenol
- Name En
- Pubchem Id
- 1781945
- Smiles Canonical
- CC=CC1=CC(=C(C=C1)OC)O
- Molecular Formula
- C10H12O2
- Molecular Weight
- 164.2040
- Inchikey
- LHJZSWVADJCBNI-ARJAWSKDSA-N
- Inchi
- InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3/b4-3-
- Isomeric Smiles
- C/C=C\C1=CC(=C(C=C1)OC)O
- Cas Id
- Ob Score
- 58.7327
- Mol Logp
- 2.4339
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methoxy-5-[(Z)-Prop-1-Enyl]Phenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Methoxy-5-[(Z)-Prop-1-Enyl]Phenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-methoxy-5-[(Z)-prop-1-enyl]phenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-methoxy-5-[(Z)-prop-1-enyl]phenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methoxy-5-[(z)-prop-1-enyl]phenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methoxy-5-[(z)-prop-1-enyl]phenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(Z)-2-Methoxy-5-(prop-1-en-1-yl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-2-Methoxy-5-(prop-1-en-1-yl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
41243-66-7
Role
alias
Source
HERB_v2
Preferred
No
Name
41243-66-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3371209
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3371209
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Z)-2-Methoxy-5-(prop-1-en-1-yl)phenol41243-66-7SCHEMBL3371209
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005899
Tcmsp
MOL007001
Sym Map
SMIT08524
Pub Chem
1781945
Tcmbank
TCMBANKIN022353
Etcm Ingredient
2-methoxy-5-[(Z)-prop-1-enyl]phenol
Itcmdb Generated
ITX-INGREDIENT-7345A95FF81E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3/b4-3-
Mol Wt
164.204
Mol Log P
2.433900000000001
Version
v1,v2
In Ch Ikey
LHJZSWVADJCBNI-ARJAWSKDSA-N
Ob Score
58.7327045658.73270558.733
Suppress
0
Num Hdonors
1
Drug Likeness
0.727
Num Hacceptors
2
Isomeric Smiles
C/C=C\C1=CC(=C(C=C1)OC)O
Molecule Weight
164.22
Canonical Smiles
CC=CC1=CC(=C(C=C1)OC)O
Herb Alias Names
SCHEMBL3371209(Z)-2-Methoxy-5-(prop-1-en-1-yl)phenol41243-66-7
Molecular Weight
164.080
Molecular Weight
164.22
Molecular Formula
C10H12O2
Molecular Formula
C10H12O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.095
Quantitative Estimate Of Drug Likeness（Qed）
0.727