Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2870
- Core Entity Id
- 6380
- Source Entity Count
- 1
- Preferred Name
- (2s)-euchrenone a7
- Name En
- Pubchem Id
- 44593508
- Smiles Canonical
- CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C
- Molecular Formula
- C20H20O5
- Molecular Weight
- 340.3750
- Inchikey
- JJOUBYOHNYJCOU-IBGZPJMESA-N
- Inchi
- InChI=1S/C20H20O5/c1-11(2)3-5-14-16(22)8-7-15-18(24)10-19(25-20(14)15)13-6-4-12(21)9-17(13)23/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-/m0/s1
- Isomeric Smiles
- CC(=CCC1=C(C=CC2=C1O[C@@H](CC2=O)C3=C(C=C(C=C3)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0186
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-Euchrenone A7
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2s)-euchrenone a7
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s)-euchrenone a7
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2s)-euchrenone a7
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
130252-50-5
Role
alias
Source
HERB_v2
Preferred
No
Name
130252-50-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50251006
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50251006
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL457686
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL457686
Role
alias
Source
itcmdb_public
Preferred
No
Name
JJOUBYOHNYJCOU-IBGZPJMESA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
JJOUBYOHNYJCOU-IBGZPJMESA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one130252-50-5BDBM50251006CHEMBL457686JJOUBYOHNYJCOU-IBGZPJMESA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006805
Npass
NPC91560
Tcmid
7484
Pub Chem
44593508
Tcmbank
TCMBANKIN040270
Etcm Ingredient
(2S)-Euchrenone A7
Itcmdb Generated
ITX-INGREDIENT-6320DF7C5A18
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O5/c1-11(2)3-5-14-16(22)8-7-15-18(24)10-19(25-20(14)15)13-6-4-12(21)9-17(13)23/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-/m0/s1
Mol Wt
340.375
Smiles
CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C
Mol Log P
4.018600000000004
In Ch Ikey
JJOUBYOHNYJCOU-IBGZPJMESA-N
Mol2 Path
/TCM_database/2007_3d_all/07485.mol2
Reference
3090, 5038
Num Hdonors
3
Drug Likeness
0.735
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C(C=CC2=C1O[C@@H](CC2=O)C3=C(C=C(C=C3)O)O)O)C
Canonical Smiles
CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C
Herb Alias Names
CHEMBL457686JJOUBYOHNYJCOU-IBGZPJMESA-NBDBM50251006(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one130252-50-5
Molecular Weight
340.130
Molecular Weight
340.4 g/mol
Molecular Formula
C20H20O5
Molecular Formula
C20H20O5
Molecular Formula
C20H20O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.456
Quantitative Estimate Of Drug Likeness（Qed）
0.735