Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 6Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6745
- Core Entity Id
- 10677
- Source Entity Count
- 1
- Preferred Name
- 5,8-dimethoxyxanthyletin
- Name En
- Pubchem Id
- 155148
- Smiles Canonical
- CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=O)C=C3)OC)C
- Molecular Formula
- C16H16O5
- Molecular Weight
- 288.2990
- Inchikey
- QZUNAFWZEXJWGD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3
- Isomeric Smiles
- CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=O)C=C3)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9944
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,8-Dimethoxyxanthyletin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,8-Dimethoxyxanthyletin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,8-dimethoxyxanthyletin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,8-dimethoxyxanthyletin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
石椒草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHI JIAO CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sessile-fruit Chinaure
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 5,10-dimethoxy-8,8-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 5,10-dimethoxy-8,8-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,10-Dimethoxy-8,8-dimethyl-2H,8H-benzo[1,2-b
Role
alias
Source
HERB_v2
Preferred
No
Name
5,10-Dimethoxy-8,8-dimethyl-2H,8H-benzo[1,2-b
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
68421-13-6
Role
alias
Source
HERB_v2
Preferred
No
Name
68421-13-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2334350
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2334350
Role
alias
Source
HERB_v2
Preferred
No
Name
Ceylantin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ceylantin
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50218537
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50218537
Role
alias
Source
HERB_v2
Preferred
No
Name
K8B360AVZG
Role
alias
Source
itcmdb_public
Preferred
No
Name
K8B360AVZG
Role
alias
Source
HERB_v2
Preferred
No
Name
Racemosin
Role
alias
Source
HERB_v2
Preferred
No
Name
Racemosin
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-K8B360AVZG
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-K8B360AVZG
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
石椒草SHI JIAO CAOSessile-fruit Chinaure2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 5,10-dimethoxy-8,8-dimethyl-5,10-Dimethoxy-8,8-dimethyl-2H,8H-benzo[1,2-b5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one68421-13-6CHEMBL2334350CeylantinDTXSID50218537K8B360AVZGRacemosinUNII-K8B360AVZG
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011345
Npass
NPC147030
Tcmid
6299
Pub Chem
155148
Tcmbank
TCMBANKIN048349
Etcm Ingredient
5,8-Dimethoxyxanthyletin
Itcmdb Generated
ITX-INGREDIENT-A4F9491C810E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3
Mol Wt
288.299
Mol Log P
2.994400000000001
In Ch Ikey
QZUNAFWZEXJWGD-UHFFFAOYSA-N
Tcm Name
石椒草
Tcm Name2
SHI JIAO CAO
Mol2 Path
/TCM_database/2007_3d_all/06300.mol2
Reference
660, 1521, 2495
Num Hdonors
0
Tcm Name En
Sessile-fruit Chinaure
Drug Likeness
0.795
Num Hacceptors
5
Isomeric Smiles
CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=O)C=C3)OC)C
Canonical Smiles
CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=O)C=C3)OC)C
Herb Alias Names
Racemosin68421-13-6Ceylantin5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-oneK8B360AVZGCHEMBL23343502H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 5,10-dimethoxy-8,8-dimethyl-5,10-Dimethoxy-8,8-dimethyl-2H,8H-benzo[1,2-bUNII-K8B360AVZGDTXSID50218537
Molecular Weight
288.100
Molecular Formula
C16H16O5
Molecular Formula
C16H16O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.069
Quantitative Estimate Of Drug Likeness（Qed）
0.795