Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24934
- Core Entity Id
- 30910
- Source Entity Count
- 1
- Preferred Name
- Lucernol
- Name En
- Pubchem Id
- 5748586
- Smiles Canonical
- C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=C(C=C43)O)O
- Molecular Formula
- C15H8O6
- Molecular Weight
- 284.2230
- Inchikey
- CJPXZAMCIOOMNF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H8O6/c16-6-1-2-7-11(3-6)20-14-8-4-9(17)10(18)5-12(8)21-15(19)13(7)14/h1-5,16-18H
- Isomeric Smiles
- C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=C(C=C43)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8092
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lucernol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lucernol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lucernol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lucernol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
15402-22-9
Role
alias
Source
HERB_v2
Preferred
No
Name
15402-22-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,9-Trihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,9-Trihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,9-Trihydroxycoumestan
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,9-Trihydroxycoumestan
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-Dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7,12-Trihydroxycoumestan
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7,12-Trihydroxycoumestan
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 2,3,9-trihydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 2,3,9-trihydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:171702
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:171702
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10165518
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10165518
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
15402-22-92,3,9-Trihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one2,3,9-Trihydroxycoumestan2,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one2,3-Dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one6,7,12-Trihydroxycoumestan6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 2,3,9-trihydroxy-CHEBI:171702DTXSID10165518
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033628
Tcmid
13012
Pub Chem
5748586
Tcmbank
TCMBANKIN000425
Etcm Ingredient
Lucernol
Itcmdb Generated
ITX-INGREDIENT-8D0962F1D8A2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H8O6/c16-6-1-2-7-11(3-6)20-14-8-4-9(17)10(18)5-12(8)21-15(19)13(7)14/h1-5,16-18H
Mol Wt
284.223
Smiles
C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=C(C=C43)O)O
Mol Log P
2.809200000000001
In Ch Ikey
CJPXZAMCIOOMNF-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.339
Num Hacceptors
6
Isomeric Smiles
C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=C(C=C43)O)O
Canonical Smiles
C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=C(C=C43)O)O
Herb Alias Names
15402-22-92,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one2,3,9-Trihydroxycoumestan2,3,9-Trihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 2,3,9-trihydroxy-2,3-Dihydroxy-6H-benzofuro[3,2-c][1]benzopyran-6-one6,7,12-TrihydroxycoumestanDTXSID10165518CHEBI:171702
Molecular Weight
284.030
Molecular Weight
284.22 g/mol
Molecular Formula
C15H8O6
Molecular Formula
C15H8O6
Molecular Formula
C15H8O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.928
Quantitative Estimate Of Drug Likeness（Qed）
0.339