Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18580
- Core Entity Id
- 23829
- Source Entity Count
- 1
- Preferred Name
- Eryvarin g
- Name En
- Pubchem Id
- 5317213
- Smiles Canonical
- CC(=CCC1=C2C(=CC3=C1OC=C(C3=O)OC4=C(C=C(C=C4)O)O)C=CC(O2)(C)C)C
- Molecular Formula
- C25H24O6
- Molecular Weight
- 420.4610
- Inchikey
- JRLYIMPHEWEJIU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H24O6/c1-14(2)5-7-17-23-15(9-10-25(3,4)31-23)11-18-22(28)21(13-29-24(17)18)30-20-8-6-16(26)12-19(20)27/h5-6,8-13,26-27H,7H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C2C(=CC3=C1OC=C(C3=O)OC4=C(C=C(C=C4)O)O)C=CC(O2)(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.6894
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eryvarin G
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eryvarin G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eryvarin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Eryvarin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
刺桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CI TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Coral-tree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-(2,4-dihydroxyphenoxy)-8-(3,3-dimethylallyl)-2,2-dimethylpyrano(5,6:6,7)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-dihydroxyphenoxy)-8-(3,3-dimethylallyl)-2,2-dimethylpyrano(5,6:6,7)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-(2,4-dihydroxyphenoxy)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(2,4-dihydroxyphenoxy)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
刺桐CI TONGCoral-tree3-(2,4-dihydroxyphenoxy)-8-(3,3-dimethylallyl)-2,2-dimethylpyrano(5,6:6,7)chromen-4-one7-(2,4-dihydroxyphenoxy)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025738HBIN011049
Npass
NPC198891
Tcmid
58487350
Pub Chem
5317213
Tcmbank
TCMBANKIN047695TCMBANKIN030592
Etcm Ingredient
Eryvarin G
Itcmdb Generated
ITX-INGREDIENT-59A6D549177DITX-INGREDIENT-F1AECB32CD44
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H24O6/c1-14(2)5-7-17-23-15(9-10-25(3,4)31-23)11-18-22(28)21(13-29-24(17)18)30-20-8-6-16(26)12-19(20)27/h5-6,8-13,26-27H,7H2,1-4H3
Mol Wt
420.4610000000001
Smiles
CC(=CCC1=C2C(=CC3=C1OC(C=C3)(C)C)C(=O)C(=CO2)OC4=C(C=C(C=C4)O)O)C
Mol Log P
5.689400000000005
In Ch Ikey
JRLYIMPHEWEJIU-UHFFFAOYSA-N
Tcm Name
刺桐
Tcm Name2
CI TONG
Mol2 Path
/TCM_database/2007_3d_all/07351.mol2
Reference
2040
Num Hdonors
2
Tcm Name En
Coral-tree
Drug Likeness
0.527
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C2C(=CC3=C1OC=C(C3=O)OC4=C(C=C(C=C4)O)O)C=CC(O2)(C)C)C
Canonical Smiles
CC(=CCC1=C2C(=CC3=C1OC=C(C3=O)OC4=C(C=C(C=C4)O)O)C=CC(O2)(C)C)C
Herb Alias Names
7-(2,4-dihydroxyphenoxy)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one3-(2,4-dihydroxyphenoxy)-8-(3,3-dimethylallyl)-2,2-dimethylpyrano(5,6:6,7)chromen-4-one7-(2,4-dihydroxyphenoxy)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-one
Molecular Weight
420.160
Molecular Weight
420.5 g/mol
Molecular Formula
C25H24O6
Molecular Formula
C25H24O6
Molecular Formula
C25H24O6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.901
Quantitative Estimate Of Drug Likeness（Qed）
0.527