Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11988
- Core Entity Id
- 16492
- Source Entity Count
- 1
- Preferred Name
- Bakuchicin
- Name En
- Pubchem Id
- 3083848
- Smiles Canonical
- C1=CC2=C(C=CC(=O)O2)C3=C1C=CO3
- Molecular Formula
- C11H6O3
- Molecular Weight
- 186.1660
- Inchikey
- HMUJHZNYHJMOHR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H6O3/c12-10-4-2-8-9(14-10)3-1-7-5-6-13-11(7)8/h1-6H
- Isomeric Smiles
- C1=CC2=C(C=CC(=O)O2)C3=C1C=CO3
- Cas Id
- Ob Score
- Mol Logp
- 2.5392
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bakuchicin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Bakuchicin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Bakuchicin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Bakuchicin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bakuchicin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bakuchicin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
BU GU ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Malaytea Scurfpea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4412-93-5
Role
alias
Source
HERB_v2
Preferred
No
Name
4412-93-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
79Z8P9F2HJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
79Z8P9F2HJ
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-FURO[2,3-F]CHROMEN-7-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
7H-FURO[2,3-F]CHROMEN-7-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Furo(2,3-f)(1)benzopyran-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7H-Furo(2,3-f)(1)benzopyran-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
ALLOPSORALEN
Role
alias
Source
itcmdb_public
Preferred
No
Name
ALLOPSORALEN
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL499847
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL499847
Role
alias
Source
itcmdb_public
Preferred
No
Name
Coumarino-5,6-furan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Coumarino-5,6-furan
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-79Z8P9F2HJ
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-79Z8P9F2HJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
furo[2,3-f]chromen-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
furo[2,3-f]chromen-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BU GU ZHIMalaytea Scurfpea4412-93-579Z8P9F2HJ7H-FURO[2,3-F]CHROMEN-7-ONE7H-Furo(2,3-f)(1)benzopyran-7-oneALLOPSORALENCHEMBL499847Coumarino-5,6-furanUNII-79Z8P9F2HJfuro[2,3-f]chromen-7-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017545
Npass
NPC166858
Tcmid
30646
Sym Map
SMIT22505
Tcm Id
123661236719611
Pub Chem
3083848
Tcmbank
TCMBANKIN042118
Etcm Ingredient
Bakuchicin
Itcmdb Generated
ITX-INGREDIENT-426D6266C9B3
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
In Ch I
InChI=1S/C11H6O3/c12-10-4-2-8-9(14-10)3-1-7-5-6-13-11(7)8/h1-6H
Mol Wt
186.166
Mol Log P
2.5392
Version
v2
In Ch Ikey
HMUJHZNYHJMOHR-UHFFFAOYSA-N
Suppress
0
Tcm Name2
BU GU ZHI
Reference
2, 630
Num Hdonors
0
Tcm Name En
Malaytea Scurfpea
Drug Likeness
0.506
Num Hacceptors
3
Isomeric Smiles
C1=CC2=C(C=CC(=O)O2)C3=C1C=CO3
Canonical Smiles
C1=CC2=C(C=CC(=O)O2)C3=C1C=CO3
Herb Alias Names
4412-93-5ALLOPSORALENfuro[2,3-f]chromen-7-oneCoumarino-5,6-furan7H-Furo(2,3-f)(1)benzopyran-7-one79Z8P9F2HJUNII-79Z8P9F2HJCHEMBL4998477H-FURO[2,3-F]CHROMEN-7-ONE
Molecular Weight
186.030
Molecular Weight
186.16 g/mol
Molecule Formula
C11H6O3
Molecular Formula
C11H6O3
Molecular Formula
C11H6O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.124
Quantitative Estimate Of Drug Likeness（Qed）
0.506