Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11540
- Core Entity Id
- 15995
- Source Entity Count
- 1
- Preferred Name
- Artocarpesin
- Name En
- Pubchem Id
- 399491
- Smiles Canonical
- CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C
- Molecular Formula
- C20H18O6
- Molecular Weight
- 354.3580
- Inchikey
- YWUVFGZTDLJVCR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H18O6/c1-10(2)3-5-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)12-6-4-11(21)7-14(12)22/h3-4,6-9,21-23,25H,5H2,1-2H3
- Isomeric Smiles
- CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.7911
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Artocarpesin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Artocarpesin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Artocarpesin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
artocarpesin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)flavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)flavone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3162-09-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
3162-09-2
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1915458
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1915458
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30327994
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30327994
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavone, 2',4',5,7-tetrahydroxy-6-(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavone, 2',4',5,7-tetrahydroxy-6-(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-YLX5QUY8JU
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-YLX5QUY8JU
Role
alias
Source
itcmdb_public
Preferred
No
Name
YLX5QUY8JU
Role
alias
Source
HERB_v2
Preferred
No
Name
YLX5QUY8JU
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)flavone2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one3162-09-24H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-CHEMBL1915458DTXSID30327994Flavone, 2',4',5,7-tetrahydroxy-6-(3-methyl-2-butenyl)-UNII-YLX5QUY8JUYLX5QUY8JU
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016978
Npass
NPC55018
Tcmid
1809
Pub Chem
399491
Tcmbank
TCMBANKIN050073
Etcm Ingredient
Artocarpesin
Itcmdb Generated
ITX-INGREDIENT-C076295EB6E5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H18O6/c1-10(2)3-5-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)12-6-4-11(21)7-14(12)22/h3-4,6-9,21-23,25H,5H2,1-2H3
Mol Wt
354.3580000000001
Smiles
CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C
Mol Log P
3.791100000000003
In Ch Ikey
YWUVFGZTDLJVCR-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/01809.mol2
Reference
660
Num Hdonors
4
Drug Likeness
0.533
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C
Canonical Smiles
CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C
Herb Alias Names
3162-09-22-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-oneYLX5QUY8JUUNII-YLX5QUY8JU2',4',5,7-Tetrahydroxy-6-(3-methyl-2-butenyl)flavoneCHEMBL1915458Flavone, 2',4',5,7-tetrahydroxy-6-(3-methyl-2-butenyl)-DTXSID303279944H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-
Molecular Weight
372.120
Molecular Weight
354.4 g/mol
Molecular Formula
C20H20O7
Molecular Formula
C20H18O6
Molecular Formula
C20H18O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.280
Quantitative Estimate Of Drug Likeness（Qed）
0.473