Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 81
- Core Entity Id
- 850
- Source Entity Count
- 1
- Preferred Name
- 2-(1'-methylethenyl)-5-hydroxynaphtho[2,3-b]furan-4,9-dione
- Name En
- Pubchem Id
- 11064960
- 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
- MOFCZHBPVDESNO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O4/c1-7(2)11-6-9-13(17)12-8(4-3-5-10(12)16)14(18)15(9)19-11/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)-5-hydroxynaphtho[2,3-b]furan-4,9-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(1'-methylethenyl)-5-hydroxynaphtho[2,3-b]furan-4,9-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-(1'-methylethenyl)-5-hydroxynaphtho[2,3-b]furan-4,9-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxy-2-(1-methyl-ethenyl)naphtho[2,3-b ]furan-4,9-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(1-methyl-ethenyl)naphtho[2,3-b ]furan-4,9-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C15H10O4/c1-7(2)11-6-9-13(17)12-8(4-3-5-10(12)16)14(18)15(9)19-11/h3-6,16H,1H2,2H3
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C15H10O4/c1-7(2)11-6-9-13(17)12-8(4-3-5-10(12)16)14(18)15(9)19-11/h3-6,16H,1H2,2H3
Role
alias
Source
itcmdb_public
Preferred
No
Name
MOFCZHBPVDESNO-UHFFFAOYSA-
Role
alias
Source
HERB_v2
Preferred
No
Name
MOFCZHBPVDESNO-UHFFFAOYSA-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5-hydroxy-2-(1-methyl-ethenyl)naphtho[2,3-b ]furan-4,9-dioneInChI=1/C15H10O4/c1-7(2)11-6-9-13(17)12-8(4-3-5-10(12)16)14(18)15(9)19-11/h3-6,16H,1H2,2H3MOFCZHBPVDESNO-UHFFFAOYSA-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003581
Tcmid
14423
Pub Chem
11064960
Tcmbank
TCMBANKIN015728
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10O4/c1-7(2)11-6-9-13(17)12-8(4-3-5-10(12)16)14(18)15(9)19-11/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
MOFCZHBPVDESNO-UHFFFAOYSA-N
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
Herb Alias Names
MOFCZHBPVDESNO-UHFFFAOYSA-5-hydroxy-2-(1-methyl-ethenyl)naphtho[2,3-b ]furan-4,9-dioneInChI=1/C15H10O4/c1-7(2)11-6-9-13(17)12-8(4-3-5-10(12)16)14(18)15(9)19-11/h3-6,16H,1H2,2H3
Molecular Formula
C15H10O4
Molecular Formula
C15H10O4
Num Rotatable Bonds
1