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: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18420
- Core Entity Id
- 23653
- Source Entity Count
- 1
- Preferred Name
- Erianin
- Name En
- Pubchem Id
- 356759
- Smiles Canonical
- COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O
- Molecular Formula
- C18H22O5
- Molecular Weight
- 318.3690
- Inchikey
- UXDFUVFNIAJEGM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2118
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.8490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erianin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Erianin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erianin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Erianin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
erianin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
95041-90-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
95041-90-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL10557
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL10557
Role
alias
Source
HERB_v2
Preferred
No
Name
Erianin?
Role
alias
Source
itcmdb_public
Preferred
No
Name
Erianin?
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD06795132
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD06795132
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 613744
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 613744
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-phenol2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol95041-90-0CHEMBL10557Erianin?MFCD06795132NSC 613744Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025562
Npass
NPC298757
Tcmid
33006
Sym Map
SMIT23829
Tcm Id
22543
Pub Chem
356759
Tcmbank
TCMBANKIN004135
Itcmdb Generated
ITX-INGREDIENT-175B8D8705F5
Attributes
Merged source attributes and domain-specific metadata.
Type
QC ingredients
In Ch I
InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
Mol Wt
318.369
Smiles
COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O
Mol Log P
3.211800000000002
Version
v2
In Ch Ikey
UXDFUVFNIAJEGM-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.849
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O
Canonical Smiles
COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O
Herb Alias Names
95041-90-02-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenolCHEMBL105572-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-phenolPhenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-Erianin?2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenolNSC 613744MFCD06795132
Molecular Weight
318.4 g/mol
Molecule Formula
C18H22O5
Molecular Formula
C18H22O5
Molecular Formula
C18H22O5
Num Rotatable Bonds
7