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: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7746
- Core Entity Id
- 11790
- Source Entity Count
- 1
- Preferred Name
- 6-methoxyboeravinone c
- Name En
- Pubchem Id
- 487169
- Smiles Canonical
- CC1=C(C=C2C(=C1O)C(=O)C3(C(O2)C(OC4=C3C=CC=C4O)OC)O)OC
- Molecular Formula
- C19H18O8
- Molecular Weight
- 374.3450
- Inchikey
- UPWSFMIXMFRGQP-OTWHNJEPSA-N
- Inchi
- InChI=1S/C19H18O8/c1-8-11(24-2)7-12-13(14(8)21)16(22)19(23)9-5-4-6-10(20)15(9)27-18(25-3)17(19)26-12/h4-7,17-18,20-21,23H,1-3H3/t17-,18+,19-/m0/s1
- Isomeric Smiles
- CC1=C(C=C2C(=C1O)C(=O)[C@@]3([C@@H](O2)[C@@H](OC4=C3C=CC=C4O)OC)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.6112
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Methoxyboeravinone C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-Methoxyboeravinone C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-methoxyboeravinone c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-methoxyboeravinone c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
紫茉莉根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI MO LI GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Four-o’clock Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(6R,12aR)-4,11,12a-Trihydroxy-6,9-dimethoxy-10-methylchromano[3,4-b]chroman-12-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(6R,12aR)-4,11,12a-Trihydroxy-6,9-dimethoxy-10-methylchromano[3,4-b]chroman-12-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Role
alias
Source
HERB_v2
Preferred
No
Name
333798-11-1
Role
alias
Source
HERB_v2
Preferred
No
Name
333798-11-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL477898
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL477898
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID701104785
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID701104785
Role
alias
Source
HERB_v2
Preferred
No
Name
rel-(6R,6aR,12aR)-6a,12a-Dihydro-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
rel-(6R,6aR,12aR)-6a,12a-Dihydro-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
紫茉莉根ZI MO LI GENCommon Four-o’clock Root(6R,12aR)-4,11,12a-Trihydroxy-6,9-dimethoxy-10-methylchromano[3,4-b]chroman-12-one(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one333798-11-1CHEMBL477898DTXSID701104785rel-(6R,6aR,12aR)-6a,12a-Dihydro-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012518
Npass
NPC108202
Tcmid
13853
Pub Chem
487169
Tcmbank
TCMBANKIN047593
Etcm Ingredient
6-Methoxyboeravinone C
Itcmdb Generated
ITX-INGREDIENT-BF838DCC72A8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H18O8/c1-8-11(24-2)7-12-13(14(8)21)16(22)19(23)9-5-4-6-10(20)15(9)27-18(25-3)17(19)26-12/h4-7,17-18,20-21,23H,1-3H3/t17-,18+,19-/m0/s1
Mol Wt
374.3450000000001
Mol Log P
1.611219999999999
In Ch Ikey
UPWSFMIXMFRGQP-OTWHNJEPSA-N
Tcm Name
紫茉莉根
Tcm Name2
ZI MO LI GEN
Mol2 Path
/TCM_database/2007_3d_all/13860.mol2
Reference
3043
Num Hdonors
3
Tcm Name En
Common Four-o’clock Root
Drug Likeness
0.726
Num Hacceptors
8
Isomeric Smiles
CC1=C(C=C2C(=C1O)C(=O)[C@@]3([C@@H](O2)[C@@H](OC4=C3C=CC=C4O)OC)O)OC
Canonical Smiles
CC1=C(C=C2C(=C1O)C(=O)C3(C(O2)C(OC4=C3C=CC=C4O)OC)O)OC
Herb Alias Names
(6R,6aR,12aR)-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-oneCHEMBL477898DTXSID701104785333798-11-1(6R,12aR)-4,11,12a-Trihydroxy-6,9-dimethoxy-10-methylchromano[3,4-b]chroman-12-onerel-(6R,6aR,12aR)-6a,12a-Dihydro-4,11,12a-trihydroxy-6,9-dimethoxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
Molecular Weight
374.100
Molecular Weight
374.3 g/mol
Molecular Formula
C19H18O8
Molecular Formula
C19H18O8
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.726