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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 83
- Core Entity Id
- 869
- Source Entity Count
- 1
- Preferred Name
- 2-(1'-methylethenyl)-7-hydroxynaphtho[2,3-b]furan-4,9-dione
- Name En
- Pubchem Id
- 10879634
- Smiles Canonical
- CC(=C)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC(=C3)O
- Molecular Formula
- C15H10O4
- Molecular Weight
- 254.2410
- Inchikey
- MCSOYFIBXPHLPS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O4/c1-7(2)12-6-11-13(17)9-4-3-8(16)5-10(9)14(18)15(11)19-12/h3-6,16H,1H2,2H3
- Isomeric Smiles
- CC(=C)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC(=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7937
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(1'-methylethenyl)-7-hydroxynaphtho[2,3-b]furan-4,9-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(1'-methylethenyl)-7-hydroxynaphtho[2,3-b]furan-4,9-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(1'-methylethenyl)-7-hydroxynaphtho[2,3-b]furan-4,9-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003583
Tcmid
14424
Pub Chem
10879634
Tcmbank
TCMBANKIN045527
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10O4/c1-7(2)12-6-11-13(17)9-4-3-8(16)5-10(9)14(18)15(11)19-12/h3-6,16H,1H2,2H3
Mol Wt
254.241
Smiles
CC(=C)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC(=C3)O
Mol Log P
2.793700000000002
In Ch Ikey
MCSOYFIBXPHLPS-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/14431.mol2
Reference
3442
Num Hdonors
1
Drug Likeness
0.725
Num Hacceptors
4
Isomeric Smiles
CC(=C)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC(=C3)O
Canonical Smiles
CC(=C)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC(=C3)O
Molecular Formula
C15H10O4
Molecular Formula
C15H10O4
Num Rotatable Bonds
1