Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18507
- Core Entity Id
- 23748
- Source Entity Count
- 1
- Preferred Name
- Erysenegalensein e
- Name En
- Pubchem Id
- 15478903
- Smiles Canonical
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)CC(C(=C)C)O)O)C
- Molecular Formula
- C25H26O6
- Molecular Weight
- 422.4770
- Inchikey
- ZXSXDAJQZZFAON-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H26O6/c1-13(2)5-10-17-22(28)18(11-20(27)14(3)4)25-21(23(17)29)24(30)19(12-31-25)15-6-8-16(26)9-7-15/h5-9,12,20,26-29H,3,10-11H2,1-2,4H3
- Isomeric Smiles
- CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)CC(C(=C)C)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.5650
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erysenegalensein E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Erysenegalensein E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erysenegalensein e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erysenegalensein e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
攀援鱼藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
PAN YUAN YU TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Climbing Jewelvine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
154992-17-3
Role
alias
Source
HERB_v2
Preferred
No
Name
154992-17-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-DIHYDROXY-8-(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)-3-(4-HYDROXYPHENYL)-6-(3-METHYLBUT-2-EN-1-YL)CHROMEN-4-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-DIHYDROXY-8-(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)-3-(4-HYDROXYPHENYL)-6-(3-METHYLBUT-2-EN-1-YL)CHROMEN-4-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040761697
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040761697
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL557493
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL557493
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-8655
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8655
Role
alias
Source
HERB_v2
Preferred
No
Name
erysenegalenseinE
Role
alias
Source
HERB_v2
Preferred
No
Name
erysenegalenseinE
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
攀援鱼藤PAN YUAN YU TENGClimbing Jewelvine154992-17-35,7-DIHYDROXY-8-(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)-3-(4-HYDROXYPHENYL)-6-(3-METHYLBUT-2-EN-1-YL)CHROMEN-4-ONE5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-oneAKOS040761697CHEMBL557493FS-8655erysenegalenseinE
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025656
Npass
NPC51887
Tcmid
7316
Pub Chem
15478903
Tcmbank
TCMBANKIN046010
Etcm Ingredient
Erysenegalensein E
Itcmdb Generated
ITX-INGREDIENT-7C1D03292195
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H26O6/c1-13(2)5-10-17-22(28)18(11-20(27)14(3)4)25-21(23(17)29)24(30)19(12-31-25)15-6-8-16(26)9-7-15/h5-9,12,20,26-29H,3,10-11H2,1-2,4H3
Mol Wt
422.4770000000002
Mol Log P
4.565000000000005
In Ch Ikey
ZXSXDAJQZZFAON-UHFFFAOYSA-N
Tcm Name
攀援鱼藤
Tcm Name2
PAN YUAN YU TENG
Mol2 Path
/TCM_database/2007_3d_all/07317.mol2
Reference
2347, 5220
Num Hdonors
4
Tcm Name En
Climbing Jewelvine
Drug Likeness
0.433
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)CC(C(=C)C)O)O)C
Canonical Smiles
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)CC(C(=C)C)O)O)C
Herb Alias Names
154992-17-35,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-oneerysenegalenseinECHEMBL557493AKOS040761697FS-86555,7-DIHYDROXY-8-(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)-3-(4-HYDROXYPHENYL)-6-(3-METHYLBUT-2-EN-1-YL)CHROMEN-4-ONE
Molecular Weight
422.170
Molecular Weight
422.5 g/mol
Molecular Formula
C25H26O6
Molecular Formula
C25H26O6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.928
Quantitative Estimate Of Drug Likeness（Qed）
0.720