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
- 18502
- Core Entity Id
- 23743
- Source Entity Count
- 1
- Preferred Name
- Erypoegin h
- Name En
- Pubchem Id
- 9973411
- Smiles Canonical
- CC(=CCC1=C(C=CC2=C1OC3=C2COC4=C3C=CC(=C4)O)O)C
- Molecular Formula
- C20H18O4
- Molecular Weight
- 322.3600
- Inchikey
- JIYPLIGVCANHTO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H18O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,21-22H,5,10H2,1-2H3
- Isomeric Smiles
- CC(=CCC1=C(C=CC2=C1OC3=C2COC4=C3C=CC(=C4)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.9121
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erypoegin h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erypoegin h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
erypoegin h
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-(3-Methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
10-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
586961-33-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
586961-33-3
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10-(3-Methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol10-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol586961-33-3
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025652
Tcmid
7313
Pub Chem
9973411
Tcmbank
TCMBANKIN037530
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H18O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,21-22H,5,10H2,1-2H3
Mol Wt
322.36
Smiles
CC(=CCC1=C(C=CC2=C1OC3=C2COC4=C3C=CC(=C4)O)O)C
Mol Log P
4.912100000000005
In Ch Ikey
JIYPLIGVCANHTO-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07314.mol2
Reference
3400
Num Hdonors
2
Drug Likeness
0.658
Num Hacceptors
4
Isomeric Smiles
CC(=CCC1=C(C=CC2=C1OC3=C2COC4=C3C=CC(=C4)O)O)C
Canonical Smiles
CC(=CCC1=C(C=CC2=C1OC3=C2COC4=C3C=CC(=C4)O)O)C
Herb Alias Names
10-(3-Methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol10-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-3,9-diol586961-33-3
Molecular Weight
322.4 g/mol
Molecular Formula
C20H18O4
Molecular Formula
C20H18O4
Num Rotatable Bonds
2