Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30045
- Core Entity Id
- 36580
- Source Entity Count
- 1
- Preferred Name
- Pinosylvin methyl ether
- Name En
- Pubchem Id
- 5281719
- Smiles Canonical
- COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2
- Molecular Formula
- C15H14O2
- Molecular Weight
- 226.2750
- Inchikey
- JVIXPWIEOVZVJC-BQYQJAHWSA-N
- Inchi
- InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+
- Isomeric Smiles
- COC1=CC(=CC(=C1)O)/C=C/C2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 3.5712
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pinosylvin methyl ether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pinosylvin methyl ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
pinosylvin methyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-3-Hydroxy-5-methoxystilbene
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-3-Hydroxy-5-methoxystilbene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-Methoxy-5-styrylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-Methoxy-5-styrylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methoxy-5-[(E)-2-phenylethenyl]phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methoxy-5-[(E)-2-phenylethenyl]phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
35302-70-6
Role
alias
Source
HERB_v2
Preferred
No
Name
35302-70-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Methoxy-3-stilbenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Methoxy-3-stilbenol
Role
alias
Source
HERB_v2
Preferred
No
Name
5150-38-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
5150-38-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:8227
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:8227
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 3-methoxy-5-[(1E)-2-phenylethenyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 3-methoxy-5-[(1E)-2-phenylethenyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pinosylvin monomethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Pinosylvin monomethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-Hydroxy-5-methoxystilbene(E)-3-Methoxy-5-styrylphenol3-methoxy-5-[(E)-2-phenylethenyl]phenol35302-70-65-Methoxy-3-stilbenol5150-38-9CHEBI:8227Phenol, 3-methoxy-5-[(1E)-2-phenylethenyl]-Pinosylvin monomethyl ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040036
Npass
NPC94045
Tcmid
17407
Pub Chem
5281719
Tcmbank
TCMBANKIN013780
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+
Mol Wt
226.275
Smiles
COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2
Mol Log P
3.571200000000002
In Ch Ikey
JVIXPWIEOVZVJC-BQYQJAHWSA-N
Num Hdonors
1
Drug Likeness
0.811
Num Hacceptors
2
Isomeric Smiles
COC1=CC(=CC(=C1)O)/C=C/C2=CC=CC=C2
Canonical Smiles
COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2
Herb Alias Names
35302-70-6Pinosylvin monomethyl ether(E)-3-Methoxy-5-styrylphenol(E)-3-Hydroxy-5-methoxystilbene5-Methoxy-3-stilbenol3-methoxy-5-[(E)-2-phenylethenyl]phenolPhenol, 3-methoxy-5-[(1E)-2-phenylethenyl]-CHEBI:82275150-38-9
Molecular Weight
226.27 g/mol
Molecular Formula
C15H14O2
Molecular Formula
C15H14O2
Num Rotatable Bonds
3