Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15003
- Core Entity Id
- 19840
- Source Entity Count
- 1
- Preferred Name
- Coixan a
- Name En
- Pubchem Id
- 2764
- Smiles Canonical
- C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
- Molecular Formula
- C17H18FN3O3
- Molecular Weight
- 331.3470
- Inchikey
- MYSWGUAQZAJSOK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
- Isomeric Smiles
- C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5833
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coixan A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Coixan a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Coixan a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
85721-33-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
85721-33-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Cipro
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cipro
Role
alias
Source
HERB_v2
Preferred
No
Name
Cipro IV
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cipro IV
Role
alias
Source
HERB_v2
Preferred
No
Name
Ciprobay
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ciprobay
Role
alias
Source
HERB_v2
Preferred
No
Name
Ciprocinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ciprocinol
Role
alias
Source
HERB_v2
Preferred
No
Name
Ciprofloxacina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ciprofloxacina
Role
alias
Source
HERB_v2
Preferred
No
Name
Ciprofloxacine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ciprofloxacine
Role
alias
Source
HERB_v2
Preferred
No
Name
Ciprofloxacinum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ciprofloxacinum
Role
alias
Source
HERB_v2
Preferred
No
Name
Ciproxan
Role
alias
Source
HERB_v2
Preferred
No
Name
Ciproxan
Role
alias
Source
itcmdb_public
Preferred
No
Name
ciprofloxacin
Role
alias
Source
itcmdb_public
Preferred
No
Name
ciprofloxacin
Role
alias
Source
HERB_v2
Preferred
No
Name
Coixan C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
coixan C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
coixan A
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
85721-33-1CiproCipro IVCiprobayCiprocinolCiprofloxacinaCiprofloxacineCiprofloxacinumCiproxanciprofloxacinCoixan C
Cross References
Trusted external identifiers retained for this final record.
Hit
C1244
Herb
HBIN021250HBIN021252
Tcmid
3976439766
Sym Map
SMIT23054SMIT23056
Pub Chem
2764
Tcmbank
TCMBANKIN058588
Itcmdb Generated
ITX-INGREDIENT-09125D9C76D0ITX-INGREDIENT-69BF0894C378
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
Mol Wt
331.347
Smiles
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
Mol Log P
1.5833
Version
v2
In Ch Ikey
MYSWGUAQZAJSOK-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.893
Num Hacceptors
5
Isomeric Smiles
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
Canonical Smiles
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
Herb Alias Names
ciprofloxacin85721-33-1CiprofloxacineCiprobayCiproCiprofloxacinaCiproxanCiprofloxacinumCipro IVCiprocinol
Molecular Formula
C17H18FN3O3
Molecular Formula
C17H18FN3O3
Num Rotatable Bonds
3