Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31975
- Core Entity Id
- 38730
- Source Entity Count
- 1
- Preferred Name
- Robustine
- Name En
- Pubchem Id
- 164950
- Smiles Canonical
- COC1=C2C=COC2=NC3=C1C=CC=C3O
- Molecular Formula
- C12H9NO3
- Molecular Weight
- 215.2080
- Inchikey
- VGVNNMLKTSWBAR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H9NO3/c1-15-11-7-3-2-4-9(14)10(7)13-12-8(11)5-6-16-12/h2-6,14H,1H3
- Isomeric Smiles
- COC1=C2C=COC2=NC3=C1C=CC=C3O
- 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
Robustine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Robustine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Robustine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
robustine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2255-50-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
2255-50-7
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxyfuro[2,3-b]quinolin-8-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxyfuro[2,3-b]quinolin-8-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-HYDROXYDICTAMNINE
Role
alias
Source
HERB_v2
Preferred
No
Name
8-HYDROXYDICTAMNINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Hydroxy dictanmnine
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Hydroxy dictanmnine
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L4VSR
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L4VSR
Role
alias
Source
HERB_v2
Preferred
No
Name
C10736
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10736
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:8883
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:8883
Role
alias
Source
itcmdb_public
Preferred
No
Name
Furo(2,3-b)quinolin-8-ol, 4-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Furo[2,3-b]quinolin-8-ol, 4-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,8-dihydroxyfuro[2,3-b]quinoline; 4-me ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2255-50-74-methoxyfuro[2,3-b]quinolin-8-ol8-HYDROXYDICTAMNINE8-Hydroxy dictanmnineAC1L4VSRC10736CHEBI:8883Furo(2,3-b)quinolin-8-ol, 4-methoxy-Furo[2,3-b]quinolin-8-ol, 4-methoxy-4,8-dihydroxyfuro[2,3-b]quinoline; 4-me ether
Cross References
Trusted external identifiers retained for this final record.
Cas
2255-50-7
Herb
HBIN042378HBIN010138
Npass
NPC205372
Tcmid
18866
Tcm Id
7878
Pub Chem
164950
Tcmbank
TCMBANKIN025448TCMBANKIN009741
Etcm Ingredient
Robustine
Itcmdb Generated
ITX-INGREDIENT-37B54915E228
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H9NO3/c1-15-11-7-3-2-4-9(14)10(7)13-12-8(11)5-6-16-12/h2-6,14H,1H3
Mol Wt
215.208
Smiles
COC1=C2C=COC2=NC3=C1C=CC=C3O
Mol Log P
2.695200000000001
In Ch Ikey
VGVNNMLKTSWBAR-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.678
Num Hacceptors
4
Isomeric Smiles
COC1=C2C=COC2=NC3=C1C=CC=C3O
Canonical Smiles
COC1=C2C=COC2=NC3=C1C=CC=C3O
Herb Alias Names
2255-50-74-methoxyfuro[2,3-b]quinolin-8-ol8-Hydroxy dictanmnineFuro(2,3-b)quinolin-8-ol, 4-methoxy-CHEBI:8883C10736Furo[2,3-b]quinolin-8-ol, 4-methoxy-AC1L4VSR8-HYDROXYDICTAMNINE
Molecular Weight
217.070
Molecular Weight
215.2 g/mol
Molecular Formula
C12H11NO3
Molecular Formula
C12H9NO3
Molecular Formula
C12H9NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.044
Quantitative Estimate Of Drug Likeness（Qed）
0.792