Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12891
- Core Entity Id
- 17498
- Source Entity Count
- 1
- Preferred Name
- Boeravinone e
- Name En
- Pubchem Id
- 11537197
- Smiles Canonical
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3O)O
- Molecular Formula
- C17H12O7
- Molecular Weight
- 328.2760
- Inchikey
- NCWLTPKGFNPAMP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H12O7/c1-6-9(19)5-11-13(14(6)20)15(21)12-8-3-2-7(18)4-10(8)24-17(22)16(12)23-11/h2-5,17-20,22H,1H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2685
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Boeravinone E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Boeravinone e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Boeravinone e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
黄细心
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG XI XIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Diffuse Boerhavia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
137787-00-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
137787-00-9
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6,9,11-Tetrahydroxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6,9,11-Tetrahydroxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50321308
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50321308
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL222274
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL222274
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N2948
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2948
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL13335931
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL13335931
Role
alias
Source
HERB_v2
Preferred
No
Name
boeravinoneE
Role
alias
Source
HERB_v2
Preferred
No
Name
boeravinoneE
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄细心HUANG XI XINDiffuse Boerhavia137787-00-93,6,9,11-Tetrahydroxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-oneBDBM50321308CHEMBL222274HY-N2948SCHEMBL13335931boeravinoneE
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018708
Npass
NPC87404
Tcmid
2536
Pub Chem
11537197
Tcmbank
TCMBANKIN044805
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H12O7/c1-6-9(19)5-11-13(14(6)20)15(21)12-8-3-2-7(18)4-10(8)24-17(22)16(12)23-11/h2-5,17-20,22H,1H3
Mol Wt
328.276
Mol Log P
2.268520000000001
In Ch Ikey
NCWLTPKGFNPAMP-UHFFFAOYSA-N
Tcm Name
黄细心
Tcm Name2
HUANG XI XIN
Mol2 Path
/TCM_database/2007_3d_all/02536.mol2
Reference
660
Num Hdonors
4
Tcm Name En
Diffuse Boerhavia
Drug Likeness
0.499
Num Hacceptors
7
Isomeric Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3O)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3O)O
Herb Alias Names
137787-00-93,6,9,11-tetrahydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one3,6,9,11-Tetrahydroxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-oneboeravinoneE3,6,9,11-tetrahydroxy-10-methyl-6H-chromeno(3,4-b)chromen-12-oneCHEMBL222274SCHEMBL13335931HY-N2948BDBM50321308
Molecular Weight
328.27 g/mol
Molecular Formula
C17H12O7
Num Rotatable Bonds
0