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
- 12887
- Core Entity Id
- 17494
- Source Entity Count
- 1
- Preferred Name
- Boeravinone a
- Name En
- Pubchem Id
- 14018346
- Smiles Canonical
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3OC)O
- Molecular Formula
- C18H14O6
- Molecular Weight
- 326.3040
- Inchikey
- TXTGITRXQUOAJM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H14O6/c1-8-10(19)7-12-14(15(8)20)16(21)13-9-5-3-4-6-11(9)24-18(22-2)17(13)23-12/h3-7,18-20H,1-2H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2170
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Boeravinone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Boeravinone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
boeravinone a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
114567-33-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
114567-33-8
Role
alias
Source
HERB_v2
Preferred
No
Name
6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone
Role
alias
Source
HERB_v2
Preferred
No
Name
9,11-dihydroxy-6-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,11-dihydroxy-6-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:185205
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:185205
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL223681
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL223681
Role
alias
Source
HERB_v2
Preferred
No
Name
EX-A3790
Role
alias
Source
itcmdb_public
Preferred
No
Name
EX-A3790
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8597
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8597
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3321069
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3321069
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
114567-33-86a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone9,11-dihydroxy-6-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-oneCHEBI:185205CHEMBL223681EX-A3790HY-N8597SCHEMBL3321069
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018704
Npass
NPC168805
Tcmid
2532
Pub Chem
14018346
Tcmbank
TCMBANKIN047814
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H14O6/c1-8-10(19)7-12-14(15(8)20)16(21)13-9-5-3-4-6-11(9)24-18(22-2)17(13)23-12/h3-7,18-20H,1-2H3
Mol Wt
326.304
Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3OC)O
Mol Log P
3.217020000000002
In Ch Ikey
TXTGITRXQUOAJM-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/02532.mol2
Reference
660
Num Hdonors
2
Drug Likeness
0.714
Num Hacceptors
6
Isomeric Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3OC)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3OC)O
Herb Alias Names
114567-33-89,11-dihydroxy-6-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one6a,12a-Dehydro-9,11-dihydroxy-6-methoxy-10-methylrotenone9,11-dihydroxy-6-methoxy-10-methyl-6H-chromeno(3,4-b)chromen-12-oneCHEMBL223681SCHEMBL3321069CHEBI:185205EX-A3790HY-N8597
Molecular Weight
326.3 g/mol
Molecular Formula
C18H14O6
Molecular Formula
C18H14O6
Num Rotatable Bonds
1