Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Reference: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12888
- Core Entity Id
- 17495
- Source Entity Count
- 1
- Preferred Name
- Boeravinone b
- Name En
- Pubchem Id
- 14018348
- Smiles Canonical
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O
- Molecular Formula
- C17H12O6
- Molecular Weight
- 312.2770
- Inchikey
- YVVDYYFGAWQOGB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H12O6/c1-7-9(18)6-11-13(14(7)19)15(20)12-8-4-2-3-5-10(8)23-17(21)16(12)22-11/h2-6,17-19,21H,1H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5629
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Boeravinone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Boeravinone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
boeravinone b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-Methyl-6,9,11-trihydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Methyl-6,9,11-trihydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
114567-34-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
114567-34-9
Role
alias
Source
HERB_v2
Preferred
No
Name
6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenone
Role
alias
Source
HERB_v2
Preferred
No
Name
6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL376240
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL376240
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3320676
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3320676
Role
alias
Source
itcmdb_public
Preferred
No
Name
[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
boeravinoneB
Role
alias
Source
HERB_v2
Preferred
No
Name
boeravinoneB
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10-Methyl-6,9,11-trihydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one114567-34-96,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenoneCHEMBL376240SCHEMBL3320676[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-boeravinoneB
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018705
Npass
NPC92395
Tcmid
2533
Pub Chem
14018348
Tcmbank
TCMBANKIN038099
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H12O6/c1-7-9(18)6-11-13(14(7)19)15(20)12-8-4-2-3-5-10(8)23-17(21)16(12)22-11/h2-6,17-19,21H,1H3
Mol Wt
312.277
Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O
Mol Log P
2.562920000000002
In Ch Ikey
YVVDYYFGAWQOGB-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/02533.mol2
Reference
660
Num Hdonors
3
Drug Likeness
0.59
Num Hacceptors
6
Isomeric Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O
Herb Alias Names
114567-34-96,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one[1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-10-Methyl-6,9,11-trihydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenoneboeravinoneB6,9,11-trihydroxy-10-methyl-6H-chromeno(3,4-b)chromen-12-oneCHEMBL376240SCHEMBL3320676
Molecular Weight
312.27 g/mol
Molecular Formula
C17H12O6
Molecular Formula
C17H12O6
Num Rotatable Bonds
0