Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Reference: 10Target: 4Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15279
- Core Entity Id
- 20149
- Source Entity Count
- 1
- Preferred Name
- Corylin
- Name En
- Pubchem Id
- 5316097
- Smiles Canonical
- CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)C
- Molecular Formula
- C20H16O4
- Molecular Weight
- 320.3440
- Inchikey
- PWAACAMQKVIVPZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
- Isomeric Smiles
- CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)C
- Cas Id
- 53947-92-5
- Ob Score
- Mol Logp
- 4.3498
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Corylin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Corylin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Corylin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Corylin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Corylin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Corylin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
补骨脂
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BU GU ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Malaytea Scurfpea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
53947-92-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
53947-92-5
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50349976
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50349976
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229928
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:229928
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1271888
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1271888
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID601156014
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601156014
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N0236
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N0236
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD20260784
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD20260784
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1096083
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1096083
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
补骨脂BU GU ZHIMalaytea Scurfpea3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one53947-92-5BDBM50349976CHEBI:229928CHEMBL1271888DTXSID601156014HY-N0236MFCD20260784SCHEMBL1096083
Cross References
Trusted external identifiers retained for this final record.
Cas
53947-92-5
Herb
HBIN021561
Npass
NPC104406
Tcmid
4109
Sym Map
SMIT23110
Tcm Id
5473
Pub Chem
5316097
Tcmbank
TCMBANKIN036899
Etcm Ingredient
Corylin
Itcmdb Generated
ITX-INGREDIENT-4503512048FE
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Metabolic ingredients
In Ch I
InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3
Mol Wt
320.3440000000001
Cas Id
53947-92-5
Mol Log P
4.349800000000003
Version
v2
In Ch Ikey
PWAACAMQKVIVPZ-UHFFFAOYSA-N
Suppress
0
Tcm Name
补骨脂
Tcm Name2
BU GU ZHI
Mol2 Path
/TCM_database/2007_3d_all/04109.mol2
Reference
2, 5508
Num Hdonors
1
Tcm Name En
Malaytea Scurfpea
Drug Likeness
0.724
Num Hacceptors
4
Isomeric Smiles
CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)C
Canonical Smiles
CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)C
Herb Alias Names
53947-92-53-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-oneMFCD20260784SCHEMBL1096083CHEMBL1271888CHEBI:229928DTXSID601156014HY-N0236BDBM50349976
Molecular Weight
320.100
Molecular Weight
320.34
Molecule Formula
C20H16O4
Molecular Formula
C20H16O4
Molecular Formula
C20H16O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.772
Quantitative Estimate Of Drug Likeness（Qed）
0.724