Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15091
- Core Entity Id
- 19938
- Source Entity Count
- 1
- Preferred Name
- Confusameline
- Name En
- Pubchem Id
- 135438120
- Smiles Canonical
- COC1=C2C=COC2=NC3=C1C=CC(=C3)O
- Molecular Formula
- C12H9NO3
- Molecular Weight
- 215.2080
- Inchikey
- AZJIOEVMDIMLQX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H9NO3/c1-15-11-8-3-2-7(14)6-10(8)13-12-9(11)4-5-16-12/h2-6,14H,1H3
- Isomeric Smiles
- COC1=C2C=COC2=NC3=C1C=CC(=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6952
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Confusameline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Confusameline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Confusameline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
似肉托果叶蜜茱萸
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SI ROU TUO GUO YE MI ZHU YU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
20643-71-4
Role
alias
Source
HERB_v2
Preferred
No
Name
20643-71-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methoxyfuro(2,3-b)quinolin-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methoxyfuro(2,3-b)quinolin-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxydictamnine
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxydictamnine
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-O-Demethylevolitrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-O-Demethylevolitrine
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 8428
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 8428
Role
alias
Source
HERB_v2
Preferred
No
Name
Confusamelin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Confusamelin
Role
alias
Source
HERB_v2
Preferred
No
Name
Furo(2,3-b)quinolin-7-ol, 4-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Furo(2,3-b)quinolin-7-ol, 4-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
O7-Demethylevolitrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
O7-Demethylevolitrine
Role
alias
Source
HERB_v2
Preferred
No
Name
confusameline
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
似肉托果叶蜜茱萸SI ROU TUO GUO YE MI ZHU YU20643-71-44-Methoxyfuro(2,3-b)quinolin-7-ol7-Hydroxydictamnine7-O-DemethylevolitrineCCRIS 8428ConfusamelinFuro(2,3-b)quinolin-7-ol, 4-methoxy-O7-Demethylevolitrine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021349
Tcmid
3975
Tcm Id
104331043419804
Pub Chem
135438120
Tcmbank
TCMBANKIN040890
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H9NO3/c1-15-11-8-3-2-7(14)6-10(8)13-12-9(11)4-5-16-12/h2-6,14H,1H3
Mol Wt
215.208
Mol Log P
2.695200000000001
In Ch Ikey
AZJIOEVMDIMLQX-UHFFFAOYSA-N
Tcm Name
似肉托果叶蜜茱萸
Tcm Name2
SI ROU TUO GUO YE MI ZHU YU
Mol2 Path
/TCM_database/2007_3d_all/03975.mol2
Reference
5405
Num Hdonors
1
Drug Likeness
0.678
Num Hacceptors
4
Isomeric Smiles
COC1=C2C=COC2=NC3=C1C=CC(=C3)O
Canonical Smiles
COC1=C2C=COC2=NC3=C1C=CC(=C3)O
Herb Alias Names
Confusamelin7-HydroxydictamnineO7-Demethylevolitrine7-O-DemethylevolitrineCCRIS 84284-Methoxyfuro(2,3-b)quinolin-7-ol20643-71-4Furo(2,3-b)quinolin-7-ol, 4-methoxy-4-Methoxyfuro[2,3-b]quinolin-7-ol
Molecular Weight
215.2 g/mol
Molecular Formula
C12H9NO3
Num Rotatable Bonds
1