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: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11556
- Core Entity Id
- 16013
- Source Entity Count
- 1
- Preferred Name
- Artonin e
- Name En
- Pubchem Id
- 5481962
- Smiles Canonical
- CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC(=C(C=C4O)O)O)C
- Molecular Formula
- C25H24O7
- Molecular Weight
- 436.4600
- Inchikey
- HDHRTQZSBFUBMJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC(=C(C=C4O)O)O)C
- Cas Id
- 129683-93-8
- Ob Score
- 11.3828
- Mol Logp
- 4.9753
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Artonin E
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Artonin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Artonin E
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Artonin E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Artonin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Artonin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
129683-93-8
Role
alias
Source
TCMBank
Preferred
No
Name
129683-93-8
Role
alias
Source
HERB_v2
Preferred
No
Name
129683-93-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5'-Hydroxymorusin
Role
alias
Source
itcmdb_public
Preferred
No
Name
5'-Hydroxymorusin
Role
alias
Source
TCMBank
Preferred
No
Name
5'-Hydroxymorusin
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Hydroxy-8,8-dimethyl-3-(3-methyl-but-2-enyl)-2-(2,4,5-trihydroxy-phenyl)-8H-benzo[1,2-b:4,3-b']dipyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)-4-pyrano[6,5-h]chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[6,5-h]chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-095972
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL463106
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL463106
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30156221
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30156221
Role
alias
Source
itcmdb_public
Preferred
No
Name
KB 3
Role
alias
Source
itcmdb_public
Preferred
No
Name
KB 3
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4929818
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4929818
Role
alias
Source
itcmdb_public
Preferred
No
Name
artonin e
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
129683-93-84H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-5'-Hydroxymorusin5-Hydroxy-8,8-dimethyl-3-(3-methyl-but-2-enyl)-2-(2,4,5-trihydroxy-phenyl)-8H-benzo[1,2-b:4,3-b']dipyran-4-one5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)-4-pyrano[6,5-h]chromenone5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-one5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[6,5-h]chromen-4-oneAIDS-095972CHEMBL463106DTXSID30156221KB 3SCHEMBL4929818
Cross References
Trusted external identifiers retained for this final record.
Cas
129683-93-8
Herb
HBIN016994
Npass
NPC276444
Tcmsp
MOL004999
Sym Map
SMIT06823
Tcm Id
109491095021687
Pub Chem
5481962
Tcmbank
TCMBANKIN019671
Etcm Ingredient
Artonin E
Itcmdb Generated
ITX-INGREDIENT-2256FE6E6B8F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3
Mol Wt
436.4600000000002
Cas Id
129683-93-8
Smiles
CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC(=C(C=C4O)O)O)C
Mol Log P
4.975300000000006
Version
v1,v2
In Ch Ikey
HDHRTQZSBFUBMJ-UHFFFAOYSA-N
Ob Score
11.38282311.3828234511.383
Suppress
0
Num Hdonors
4
Drug Likeness
0.26
Num Hacceptors
7
Isomeric Smiles
CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC(=C(C=C4O)O)O)C
Molecule Weight
436.49
Canonical Smiles
CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=CC(=C(C=C4O)O)O)C
Herb Alias Names
5'-Hydroxymorusin129683-93-85-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano[2,3-h]chromen-4-oneDTXSID301562214H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)pyrano(2,3-h)chromen-4-oneCHEMBL463106KB 3SCHEMBL4929818
Molecular Weight
436.150
Molecular Weight
436.45
Molecular Formula
C25H24O7
Molecular Formula
C25H24O7
Molecular Formula
C25H24O7
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.901
Quantitative Estimate Of Drug Likeness（Qed）
0.260