Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2056
- Core Entity Id
- 5474
- Source Entity Count
- 1
- Preferred Name
- 2-isopropenylnaphtho[2,3-b ]furan-4,9-quinone
- Name En
- Pubchem Id
- 637335
- Smiles Canonical
- CC(=C)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
- Molecular Formula
- C15H10O3
- Molecular Weight
- 238.2420
- Inchikey
- JIXOWAXGILXNLY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-7H,1H2,2H3
- Isomeric Smiles
- CC(=C)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
- Cas Id
- Ob Score
- Mol Logp
- 3.0881
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Isopropenyl naphtho[2,3-b]furan-4,9-quinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Isopropenyl naphtho[2,3-b]furan-4,9-quinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-isopropenylnaphtho[2,3-b ]furan-4,9-quinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-isopropenylnaphtho[2,3-b ]furan-4,9-quinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
菜豆树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CAI DOU SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asia Belltree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
18635-24-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
18635-24-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1\'Methylethenyl)naphtho[2,3-b]furan-4,9-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(1\'Methylethenyl)naphtho[2,3-b]furan-4,9-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(PROP-1-EN-2-YL)NAPHTHO[2,3-B]FURAN-4,9-DIONE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(PROP-1-EN-2-YL)NAPHTHO[2,3-B]FURAN-4,9-DIONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Isopropenyl-2,3-dihydro-naphtho[2,3-b]furan-4,9-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Isopropenyl-2,3-dihydro-naphtho[2,3-b]furan-4,9-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2-isopropenyl naphtho[2,3-b]furan-4,9-quinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-isopropenyl naphtho[2,3-b]furan-4,9-quinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-isopropenylnaphtho[2,3-b]furan-4,9-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-isopropenylnaphtho[2,3-b]furan-4,9-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL484359
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL484359
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70940065
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70940065
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16917433
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16917433
Role
alias
Source
itcmdb_public
Preferred
No
Name
naphtho[2,3-b]furan-4,9-dione, 2-(1-methylethenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
naphtho[2,3-b]furan-4,9-dione, 2-(1-methylethenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Isopropenyl naphtho[2,3-b]furan-4,9-quinone菜豆树CAI DOU SHUAsia Belltree18635-24-02-(1\'Methylethenyl)naphtho[2,3-b]furan-4,9-dione2-(PROP-1-EN-2-YL)NAPHTHO[2,3-B]FURAN-4,9-DIONE2-Isopropenyl-2,3-dihydro-naphtho[2,3-b]furan-4,9-dione2-isopropenylnaphtho[2,3-b]furan-4,9-dioneCHEMBL484359DTXSID70940065SCHEMBL16917433naphtho[2,3-b]furan-4,9-dione, 2-(1-methylethenyl)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005847
Tcmid
11613
Pub Chem
637335
Tcmbank
TCMBANKIN007624TCMBANKIN033435
Etcm Ingredient
2-Isopropenyl naphtho[2,3-b]furan-4,9-quinone
Itcmdb Generated
ITX-INGREDIENT-6F475B3862EAITX-INGREDIENT-E6B091346643
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-7H,1H2,2H3
Mol Wt
238.242
Smiles
CC(=C)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
Mol Log P
3.088100000000002
In Ch Ikey
JIXOWAXGILXNLY-UHFFFAOYSA-N
Tcm Name
菜豆树
Tcm Name2
CAI DOU SHU
Mol2 Path
/TCM_database/2007_3d_all/11616.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Asia Belltree
Drug Likeness
0.654
Num Hacceptors
3
Isomeric Smiles
CC(=C)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
Canonical Smiles
CC(=C)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
Herb Alias Names
2-isopropenylnaphtho[2,3-b]furan-4,9-dione18635-24-0CHEMBL484359SCHEMBL16917433DTXSID709400652-isopropenyl naphtho[2,3-b]furan-4,9-quinone2-(1\'Methylethenyl)naphtho[2,3-b]furan-4,9-dionenaphtho[2,3-b]furan-4,9-dione, 2-(1-methylethenyl)-2-Isopropenyl-2,3-dihydro-naphtho[2,3-b]furan-4,9-dione2-(PROP-1-EN-2-YL)NAPHTHO[2,3-B]FURAN-4,9-DIONE
Molecular Weight
238.060
Molecular Weight
238.24 g/mol
Molecular Formula
C15H10O3
Molecular Formula
C15H10O3
Molecular Formula
C15H10O3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.834
Quantitative Estimate Of Drug Likeness（Qed）
0.654