Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10412
- Core Entity Id
- 14734
- Source Entity Count
- 1
- Preferred Name
- Alpha-naphthoflavone
- Name En
- Pubchem Id
- 11790
- Smiles Canonical
- C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
- Molecular Formula
- C19H12O2
- Molecular Weight
- 272.3030
- Inchikey
- VFMMPHCGEFXGIP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
- Isomeric Smiles
- C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
- Cas Id
- Ob Score
- Mol Logp
- 4.6132
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-naphthoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Alpha-naphthoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
alpha-naphthoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
.alpha.-Naphthoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
.alpha.-Naphthoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenyl-4H-benzo[h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Phenyl-4H-benzo[h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenyl-4H-naphtho(1,2-b)pyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenyl-4H-naphtho(1,2-b)pyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-phenylbenzo[h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-phenylbenzo[h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-Naphtho[1,2-b]pyran-4-one, 2-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-Naphtho[1,2-b]pyran-4-one, 2-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
604-59-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
604-59-1
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8-Benzoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,8-Benzoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzo(h)flavone
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzo(h)flavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Naphthylflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Naphthylflavone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.alpha.-Naphthoflavone2-Phenyl-4H-benzo[h]chromen-4-one2-Phenyl-4H-naphtho(1,2-b)pyran-4-one2-phenylbenzo[h]chromen-4-one4H-Naphtho[1,2-b]pyran-4-one, 2-phenyl-604-59-17,8-BenzoflavoneBenzo(h)flavonealpha-Naphthylflavone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015619
Tcm Id
11245112461124711248
Pub Chem
11790
Tcmbank
TCMBANKIN004473
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
Mol Wt
272.3029999999999
Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
Mol Log P
4.613200000000003
In Ch Ikey
VFMMPHCGEFXGIP-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.473
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
Canonical Smiles
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
Herb Alias Names
7,8-Benzoflavone604-59-12-Phenyl-4H-benzo[h]chromen-4-one2-phenylbenzo[h]chromen-4-onealpha-NaphthylflavoneBenzo(h)flavone4H-Naphtho[1,2-b]pyran-4-one, 2-phenyl-.alpha.-Naphthoflavone2-Phenyl-4H-naphtho(1,2-b)pyran-4-one
Molecular Weight
272.3 g/mol
Molecular Formula
C19H12O2
Molecular Formula
C19H12O2
Num Rotatable Bonds
1