Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18493
- Core Entity Id
- 23733
- Source Entity Count
- 1
- Preferred Name
- Erylatissin a
- Name En
- Pubchem Id
- 11739635
- Smiles Canonical
- CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C
- Molecular Formula
- C21H20O5
- Molecular Weight
- 352.3860
- Inchikey
- CEXYMYPXHMUTTJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H20O5/c1-12(2)4-5-13-8-14(9-18(23)21(13)25-3)17-11-26-19-10-15(22)6-7-16(19)20(17)24/h4,6-11,22-23H,5H2,1-3H3
- Isomeric Smiles
- CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 4.3885
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erylatissin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Erylatissin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erylatissin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
erylatissin a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,3'-Dihydroxy-4'-methoxy-5'-(g,g-dimethylallyl)isoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,3'-Dihydroxy-4'-methoxy-5'-(g,g-dimethylallyl)isoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7,3'-dihydroxy-4'-methoxy-5'-(gamma,gamma-dimethylallyl)isoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7,3'-dihydroxy-4'-methoxy-5'-(gamma,gamma-dimethylallyl)isoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-3-(3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65863
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65863
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134355
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134355
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15764576
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15764576
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7,3'-Dihydroxy-4'-methoxy-5'-(g,g-dimethylallyl)isoflavone7,3'-dihydroxy-4'-methoxy-5'-(gamma,gamma-dimethylallyl)isoflavone7-hydroxy-3-(3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl)chromen-4-one7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-oneCHEBI:65863Q27134355SCHEMBL15764576
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025642
Npass
NPC251311
Tcmid
7304
Pub Chem
11739635
Tcmbank
TCMBANKIN050440
Etcm Ingredient
Erylatissin A
Itcmdb Generated
ITX-INGREDIENT-1E22DC2EE9F1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H20O5/c1-12(2)4-5-13-8-14(9-18(23)21(13)25-3)17-11-26-19-10-15(22)6-7-16(19)20(17)24/h4,6-11,22-23H,5H2,1-3H3
Mol Wt
352.3860000000001
Smiles
CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C
Mol Log P
4.388500000000005
In Ch Ikey
CEXYMYPXHMUTTJ-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07305.mol2
Reference
5247
Num Hdonors
2
Drug Likeness
0.681
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C
Canonical Smiles
CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C
Herb Alias Names
CHEBI:658637,3'-dihydroxy-4'-methoxy-5'-(gamma,gamma-dimethylallyl)isoflavone7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one7-hydroxy-3-(3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl)-4H-chromen-4-one7-hydroxy-3-(3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl)chromen-4-oneSCHEMBL15764576Q271343557,3'-Dihydroxy-4'-methoxy-5'-(g,g-dimethylallyl)isoflavone
Molecular Weight
352.130
Molecular Weight
352.4 g/mol
Molecular Formula
C21H20O5
Molecular Formula
C21H20O5
Molecular Formula
C21H20O5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.634
Quantitative Estimate Of Drug Likeness（Qed）
0.681