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
- 33568
- Core Entity Id
- 40505
- Source Entity Count
- 1
- Preferred Name
- Sorbifolin
- Name En
- Pubchem Id
- 3084390
- Smiles Canonical
- COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.2660
- Inchikey
- UWARRXZVZDFPQU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5854
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sorbifolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sorbifolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sorbifolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sorbifolin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
珍珠梅
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHEN ZHU MEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ural Falsespiraea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
23130-22-5
Role
alias
Source
HERB_v2
Preferred
No
Name
23130-22-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3740428
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3740428
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70177697
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70177697
Role
alias
Source
itcmdb_public
Preferred
No
Name
LADANETIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
LADANETIN
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL739122
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL739122
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCUTELLAREIN-7-METHYL ETHER
Role
alias
Source
itcmdb_public
Preferred
No
Name
scutellarein 7-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
珍珠梅ZHEN ZHU MEIUral Falsespiraea23130-22-54H-1-Benzopyran-4-one, 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-oneCHEMBL3740428DTXSID70177697LADANETINSCHEMBL739122SCUTELLAREIN-7-METHYL ETHERscutellarein 7-methyl ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044401
Npass
NPC198826
Tcmid
20087
Pub Chem
3084390
Tcmbank
TCMBANKIN046468
Etcm Ingredient
Sorbifolin
Itcmdb Generated
ITX-INGREDIENT-E44A0D5722EB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
Mol Wt
300.266
Mol Log P
2.585400000000002
In Ch Ikey
UWARRXZVZDFPQU-UHFFFAOYSA-N
Tcm Name
珍珠梅
Tcm Name2
ZHEN ZHU MEI
Mol2 Path
/TCM_database/2007_3d_all/20103.mol2
Reference
660
Num Hdonors
3
Tcm Name En
Ural Falsespiraea
Drug Likeness
0.629
Num Hacceptors
6
Isomeric Smiles
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O
Canonical Smiles
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O
Herb Alias Names
23130-22-5scutellarein 7-methyl etherSCUTELLAREIN-7-METHYL ETHER5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one4H-1-Benzopyran-4-one, 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-LADANETINSCHEMBL739122CHEMBL3740428DTXSID70177697
Molecular Weight
300.060
Molecular Weight
300.26 g/mol
Molecular Formula
C16H12O6
Molecular Formula
C16H12O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.232
Quantitative Estimate Of Drug Likeness（Qed）
0.629