Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6227
- Core Entity Id
- 10103
- Source Entity Count
- 1
- Preferred Name
- 4'-methylpinosylvin
- Name En
- Pubchem Id
- 44566996
- Smiles Canonical
- CC1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O
- Molecular Formula
- C15H14O2
- Molecular Weight
- 226.2750
- Inchikey
- OCNRSGCLTQHHRD-BQYQJAHWSA-N
- Inchi
- InChI=1S/C15H14O2/c1-11-14(16)9-13(10-15(11)17)8-7-12-5-3-2-4-6-12/h2-10,16-17H,1H3/b8-7+
- Isomeric Smiles
- CC1=C(C=C(C=C1O)/C=C/C2=CC=CC=C2)O
- Cas Id
- 439697-22-0
- Ob Score
- 58.9180
- Mol Logp
- 3.5766
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4'-Methylpinosylvin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4'-Methylpinosylvin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4'-Methylpinosylvin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4'-methylpinosylvin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4'-methylpinosylvin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4'-methylpinosylvin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
百部科植物
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Stemona cf
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
2-methyl-5-((E)-2-phenylethenyl)benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
439697-22-0
Role
alias
Source
HERB_v2
Preferred
No
Name
439697-22-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040739862
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040739862
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL463252
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL463252
Role
alias
Source
itcmdb_public
Preferred
No
Name
Compound NP-003672
Role
alias
Source
HERB_v2
Preferred
No
Name
Compound NP-003672
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5960441
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5960441
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5960445
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5960445
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
百部科植物Stemona cf2-methyl-5-((E)-2-phenylethenyl)benzene-1,3-diol2-methyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol439697-22-0AKOS040739862CHEMBL463252Compound NP-003672SCHEMBL5960441SCHEMBL5960445
Cross References
Trusted external identifiers retained for this final record.
Cas
439697-22-0
Herb
HBIN010716
Npass
NPC103691
Tcmsp
MOL009362
Sym Map
SMIT10504
Pub Chem
44566996
Tcmbank
TCMBANKIN045117
Etcm Ingredient
4'-methylpinosylvin
Itcmdb Generated
ITX-INGREDIENT-B105A6EFB45E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H14O2/c1-11-14(16)9-13(10-15(11)17)8-7-12-5-3-2-4-6-12/h2-10,16-17H,1H3/b8-7+
Mol Wt
226.275
Cas Id
439697-22-0
Mol Log P
3.576620000000002
Version
v1,v2
In Ch Ikey
OCNRSGCLTQHHRD-BQYQJAHWSA-N
Ob Score
58.91858.9182718658.918272
Suppress
0
Tcm Name
百部科植物
Tcm Name2
Stemona cf
Mol2 Path
/TCM_database/2007_3d_all/14677.mol2
Reference
3751
Num Hdonors
2
Drug Likeness
0.768
Num Hacceptors
2
Isomeric Smiles
CC1=C(C=C(C=C1O)/C=C/C2=CC=CC=C2)O
Molecule Weight
226.29
Canonical Smiles
CC1=C(C=C(C=C1O)C=CC2=CC=CC=C2)O
Herb Alias Names
2-methyl-5-((E)-2-phenylethenyl)benzene-1,3-diol2-methyl-5-[(E)-2-phenylethenyl]benzene-1,3-diolCompound NP-003672CHEMBL463252SCHEMBL5960441SCHEMBL5960445AKOS040739862439697-22-0
Molecular Weight
226.100
Molecular Weight
226.27
Molecular Formula
C15H14O2
Molecular Formula
C15H14O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.477
Quantitative Estimate Of Drug Likeness（Qed）
0.768