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
- 18500
- Core Entity Id
- 23741
- Source Entity Count
- 1
- Preferred Name
- Erypoegin f
- Name En
- Pubchem Id
- 637289
- Smiles Canonical
- CC(=CCC1=C(C=CC2=C1OC(=C2C=O)C3=C(C=C(C=C3)O)O)OC)C
- Molecular Formula
- C21H20O5
- Molecular Weight
- 352.3860
- Inchikey
- GBYUYYCUGKCGMM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H20O5/c1-12(2)4-6-16-19(25-3)9-8-14-17(11-22)21(26-20(14)16)15-7-5-13(23)10-18(15)24/h4-5,7-11,23-24H,6H2,1-3H3
- Isomeric Smiles
- CC(=CCC1=C(C=CC2=C1OC(=C2C=O)C3=C(C=C(C=C3)O)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 4.8408
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erypoegin F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erypoegin f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erypoegin f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
山地刺桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN DI CI TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mountain Immortelle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(2,4-Dihydroxy-phenyl)-6-methoxy-7-(3-methyl-but-2-enyl)-benzofuran-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,4-Dihydroxy-phenyl)-6-methoxy-7-(3-methyl-but-2-enyl)-benzofuran-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Formyl-2-(2',4'-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)benzofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Formyl-2-(2',4'-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)benzofuran
Role
alias
Source
HERB_v2
Preferred
No
Name
3-benzofurancarboxaldehyde, 2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-benzofurancarboxaldehyde, 2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
586961-23-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
586961-23-1
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1096946
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1096946
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山地刺桐SHAN DI CI TONGMountain Immortelle2-(2,4-Dihydroxy-phenyl)-6-methoxy-7-(3-methyl-but-2-enyl)-benzofuran-3-carbaldehyde2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbaldehyde2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-carbaldehyde3-Formyl-2-(2',4'-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)benzofuran3-benzofurancarboxaldehyde, 2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)-586961-23-1CHEMBL1096946
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025650
Npass
NPC179883
Tcmid
7311
Pub Chem
637289
Tcmbank
TCMBANKIN045660
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H20O5/c1-12(2)4-6-16-19(25-3)9-8-14-17(11-22)21(26-20(14)16)15-7-5-13(23)10-18(15)24/h4-5,7-11,23-24H,6H2,1-3H3
Mol Wt
352.386
Mol Log P
4.840800000000005
In Ch Ikey
GBYUYYCUGKCGMM-UHFFFAOYSA-N
Tcm Name
山地刺桐
Tcm Name2
SHAN DI CI TONG
Mol2 Path
/TCM_database/2007_3d_all/07312.mol2
Reference
3400
Num Hdonors
2
Tcm Name En
Mountain Immortelle
Drug Likeness
0.507
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C(C=CC2=C1OC(=C2C=O)C3=C(C=C(C=C3)O)O)OC)C
Canonical Smiles
CC(=CCC1=C(C=CC2=C1OC(=C2C=O)C3=C(C=C(C=C3)O)O)OC)C
Herb Alias Names
2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-carbaldehyde2-(2,4-Dihydroxy-phenyl)-6-methoxy-7-(3-methyl-but-2-enyl)-benzofuran-3-carbaldehyde2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-3-carbaldehyde3-benzofurancarboxaldehyde, 2-(2,4-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)-3-Formyl-2-(2',4'-dihydroxyphenyl)-6-methoxy-7-(3-methyl-2-butenyl)benzofuranCHEMBL1096946586961-23-1
Molecular Weight
352.4 g/mol
Molecular Formula
C21H20O5
Num Rotatable Bonds
5