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: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19244
- Core Entity Id
- 24570
- Source Entity Count
- 1
- Preferred Name
- Flavin mononucleotide
- Name En
- Pubchem Id
- 44229199
- Smiles Canonical
- CC1=CC2=C(C=C1C)N(C3=NC(=NC(=O)C3=N2)[O-])CC(C(C(COP(=O)([O-])[O-])O)O)O
- Molecular Formula
- C17H21N4O9P
- Molecular Weight
- 456.3480
- Inchikey
- FVTCRASFADXXNN-SCRDCRAPSA-N
- Inchi
- InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
- Isomeric Smiles
- CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.6066
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flavin mononucleotide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Flavin mononucleotide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
flavin mononucleotide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
146-17-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
146-17-8
Role
alias
Source
HERB_v2
Preferred
No
Name
Flanin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flanin
Role
alias
Source
HERB_v2
Preferred
No
Name
RIBOFLAVIN PHOSPHATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
RIBOFLAVIN PHOSPHATE
Role
alias
Source
HERB_v2
Preferred
No
Name
Riboflavin 5'-(dihydrogen phosphate)
Role
alias
Source
HERB_v2
Preferred
No
Name
Riboflavin 5'-(dihydrogen phosphate)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Riboflavin 5'-monophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Riboflavin 5'-monophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Riboflavin 5'-phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Riboflavin 5'-phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Riboflavin monophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Riboflavin monophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Riboflavine phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Riboflavine phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Vitamin B2 phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vitamin B2 phosphate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
146-17-8FlaninRIBOFLAVIN PHOSPHATERiboflavin 5'-(dihydrogen phosphate)Riboflavin 5'-monophosphateRiboflavin 5'-phosphateRiboflavin monophosphateRiboflavine phosphateVitamin B2 phosphate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026545
Tcmid
7815
Pub Chem
44229199643976
Tcmbank
TCMBANKIN019693
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
Mol Wt
456.3480000000001
Smiles
CC1=CC2=C(C=C1C)N(C3=NC(=NC(=O)C3=N2)[O-])CC(C(C(COP(=O)([O-])[O-])O)O)O
Mol Log P
-1.606560000000001
In Ch Ikey
FVTCRASFADXXNN-SCRDCRAPSA-N
Num Hdonors
6
Drug Likeness
0.176
Num Hacceptors
10
Isomeric Smiles
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
Canonical Smiles
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
Herb Alias Names
146-17-8Riboflavin 5'-phosphateVitamin B2 phosphateRiboflavine phosphateRiboflavin 5'-monophosphateRIBOFLAVIN PHOSPHATERiboflavin monophosphateRiboflavin 5'-(dihydrogen phosphate)Flanin
Molecular Weight
453.3 g/mol
Molecular Formula
C17H18N4O9P-3
Molecular Formula
C17H21N4O9P
Num Rotatable Bonds
7