Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15272
- Core Entity Id
- 20141
- Source Entity Count
- 1
- Preferred Name
- Corylidin
- Name En
- Pubchem Id
- 5316096
- Smiles Canonical
- CC1(C(C(C2=C(O1)C=C3C(=C2)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)O)O)C
- Molecular Formula
- C20H16O7
- Molecular Weight
- 368.3410
- Inchikey
- QYJUEWQOEZPDIA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H16O7/c1-20(2)18(23)16(22)10-6-11-13(7-14(10)27-20)26-19(24)15-9-4-3-8(21)5-12(9)25-17(11)15/h3-7,16,18,21-23H,1-2H3
- Isomeric Smiles
- CC1(C(C(C2=C(O1)C=C3C(=C2)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9633
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Corylidin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Corylidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Corylidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Corylidin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Corylidin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Corylidin
Role
preferred
Source
HERB_v2
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
6,18,19-trihydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,18,19-trihydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
63109-31-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
63109-31-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:185720
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:185720
Role
alias
Source
itcmdb_public
Preferred
No
Name
Corylidin
Role
alias
Source
TCMBank
Preferred
No
Name
Corylidin
Role
alias
Source
SymMap_v2
Preferred
No
Name
LMPK12090015
Role
alias
Source
SymMap_v2
Preferred
No
Name
LMPK12090015
Role
alias
Source
TCMBank
Preferred
No
Name
LMPK12090015
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12090015
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BU GU ZHIMalaytea Scurfpea6,18,19-trihydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-one6,18,19-trihydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-one63109-31-9CHEBI:185720LMPK12090015
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021553
Npass
NPC69999
Tcmid
4107
Sym Map
SMIT14763
Tcm Id
5477
Pub Chem
5316096
Tcmbank
TCMBANKIN038201
Etcm Ingredient
Corylidin
Itcmdb Generated
ITX-INGREDIENT-E3521BA892D3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients,Metabolic ingredients
In Ch I
InChI=1S/C20H16O7/c1-20(2)18(23)16(22)10-6-11-13(7-14(10)27-20)26-19(24)15-9-4-3-8(21)5-12(9)25-17(11)15/h3-7,16,18,21-23H,1-2H3
Mol Wt
368.3410000000001
Mol Log P
2.963300000000003
Version
v1,v2
In Ch Ikey
QYJUEWQOEZPDIA-UHFFFAOYSA-N
Suppress
0
Tcm Name2
BU GU ZHI
Mol2 Path
/TCM_database/2007_3d_all/04107.mol2
Reference
2
Num Hdonors
3
Tcm Name En
Malaytea Scurfpea
Drug Likeness
0.409
Num Hacceptors
7
Isomeric Smiles
CC1(C(C(C2=C(O1)C=C3C(=C2)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)O)O)C
Canonical Smiles
CC1(C(C(C2=C(O1)C=C3C(=C2)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)O)O)C
Herb Alias Names
6,18,19-trihydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-one6,18,19-trihydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4(9),5,7,13,15(20)-heptaen-11-oneCHEBI:185720LMPK1209001563109-31-9
Molecular Weight
368.090
Molecular Weight
368.3 g/mol
Molecule Formula
C20H16O7
Molecular Formula
C20H16O7
Molecular Formula
C20H16O7
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.923
Quantitative Estimate Of Drug Likeness（Qed）
0.409