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
- 18514
- Core Entity Id
- 23756
- Source Entity Count
- 1
- Preferred Name
- Erysenegalensein n
- Name En
- Pubchem Id
- 49768588
- Smiles Canonical
- CC(=CCC1=C(C(=C(C2=C1OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)CC(C(=C)C)O)O)C
- Molecular Formula
- C25H26O7
- Molecular Weight
- 438.4760
- Inchikey
- LFMQYXZSJKQEKQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H26O7/c1-12(2)5-7-16-22(29)17(10-19(27)13(3)4)23(30)21-24(31)18(11-32-25(16)21)15-8-6-14(26)9-20(15)28/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
- Isomeric Smiles
- CC(=CCC1=C(C(=C(C2=C1OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)CC(C(=C)C)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.2706
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erysenegalensein n
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erysenegalensein n
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
erysenegalensein n
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methyl-but-3-enyl)-8-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methyl-but-3-enyl)-8-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methyl-but-3-enyl)-8-(3-methylbut-2-enyl)chromen-4-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025663
Npass
NPC103169
Tcmid
7317
Pub Chem
49768588
Tcmbank
TCMBANKIN040226
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H26O7/c1-12(2)5-7-16-22(29)17(10-19(27)13(3)4)23(30)21-24(31)18(11-32-25(16)21)15-8-6-14(26)9-20(15)28/h5-6,8-9,11,19,26-30H,3,7,10H2,1-2,4H3
Mol Wt
438.4760000000002
Smiles
CC(=CCC1=C(C(=C(C2=C1OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)CC(C(=C)C)O)O)C
Mol Log P
4.270600000000004
In Ch Ikey
LFMQYXZSJKQEKQ-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07318.mol2
Reference
2344
Num Hdonors
5
Drug Likeness
0.363
Num Hacceptors
7
Isomeric Smiles
CC(=CCC1=C(C(=C(C2=C1OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)CC(C(=C)C)O)O)C
Canonical Smiles
CC(=CCC1=C(C(=C(C2=C1OC=C(C2=O)C3=C(C=C(C=C3)O)O)O)CC(C(=C)C)O)O)C
Herb Alias Names
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methyl-but-3-enyl)-8-(3-methylbut-2-enyl)chromen-4-one3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Molecular Weight
438.5 g/mol
Molecular Formula
C25H26O7
Molecular Formula
C25H26O7
Num Rotatable Bonds
6