Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12890
- Core Entity Id
- 17497
- Source Entity Count
- 1
- Preferred Name
- Boeravinone d
- Name En
- Pubchem Id
- 15081178
- Smiles Canonical
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3OC)O
- Molecular Formula
- C18H14O7
- Molecular Weight
- 342.3030
- Inchikey
- ZESAOJOQKPXOPG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H14O7/c1-7-10(20)6-12-14(15(7)21)16(22)13-9-4-3-8(19)5-11(9)25-18(23-2)17(13)24-12/h3-6,18-21H,1-2H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9226
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Boeravinone D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Boeravinone d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Boeravinone d
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
137786-99-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
137786-99-3
Role
alias
Source
HERB_v2
Preferred
No
Name
3,9,11-trihydroxy-6-methoxy-10-methyl-6H-chromeno(3,4-b)chromen-12-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9,11-trihydroxy-6-methoxy-10-methyl-6H-chromeno(3,4-b)chromen-12-one
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50018959
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50018959
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL498456
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL498456
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄细心HUANG XI XINDiffuse Boerhavia137786-99-33,9,11-trihydroxy-6-methoxy-10-methyl-6H-chromeno(3,4-b)chromen-12-oneBDBM50018959CHEMBL498456
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018707
Npass
NPC121910
Tcmid
2535
Pub Chem
15081178
Tcmbank
TCMBANKIN043484
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H14O7/c1-7-10(20)6-12-14(15(7)21)16(22)13-9-4-3-8(19)5-11(9)25-18(23-2)17(13)24-12/h3-6,18-21H,1-2H3
Mol Wt
342.3030000000001
Mol Log P
2.922620000000002
In Ch Ikey
ZESAOJOQKPXOPG-UHFFFAOYSA-N
Tcm Name
黄细心
Tcm Name2
HUANG XI XIN
Mol2 Path
/TCM_database/2007_3d_all/02535.mol2
Reference
660
Num Hdonors
3
Tcm Name En
Diffuse Boerhavia
Drug Likeness
0.624
Num Hacceptors
7
Isomeric Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3OC)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3OC)O
Herb Alias Names
3,9,11-trihydroxy-6-methoxy-10-methyl-6H-chromeno(3,4-b)chromen-12-one3,9,11-trihydroxy-6-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-oneCHEMBL498456BDBM50018959137786-99-3
Molecular Weight
342.3 g/mol
Molecular Formula
C18H14O7
Num Rotatable Bonds
1