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
- 9599
- Core Entity Id
- 13837
- Source Entity Count
- 1
- Preferred Name
- Acronyculatind
- Name En
- Pubchem Id
- 11010921
- Smiles Canonical
- CC(=C)C(CC1=C(C(=C(C=C1O)O)C(=O)C)OC)O
- Molecular Formula
- C14H18O5
- Molecular Weight
- 266.2930
- Inchikey
- SWKMOSGQUUWFRB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H18O5/c1-7(2)10(16)5-9-11(17)6-12(18)13(8(3)15)14(9)19-4/h6,10,16-18H,1,5H2,2-4H3
- Isomeric Smiles
- CC(=C)C(CC1=C(C(=C(C=C1O)O)C(=O)C)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7885
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Acronyculatin D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Acronyculatind
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Acronyculatind
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
acronyculatind
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(4,6-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-2-methoxyphenyl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(4,6-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-2-methoxyphenyl)ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
578716-70-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
578716-70-8
Role
alias
Source
HERB_v2
Preferred
No
Name
ACRONYCULATIN D
Role
alias
Source
HERB_v2
Preferred
No
Name
ACRONYCULATIN D
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL457948
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL457948
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Acronyculatin D1-(4,6-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-2-methoxyphenyl)ethanone578716-70-8CHEMBL457948
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014617
Npass
NPC84699
Tcmid
574
Pub Chem
11010921
Tcmbank
TCMBANKIN009112
Etcm Ingredient
Acronyculatin D
Itcmdb Generated
ITX-INGREDIENT-6CE03D14ADCB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H18O5/c1-7(2)10(16)5-9-11(17)6-12(18)13(8(3)15)14(9)19-4/h6,10,16-18H,1,5H2,2-4H3
Mol Wt
266.293
Smiles
CC(=C)C(CC1=C(C(=C(C=C1O)O)C(=O)C)OC)O
Mol Log P
1.7885
In Ch Ikey
SWKMOSGQUUWFRB-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.558
Num Hacceptors
5
Isomeric Smiles
CC(=C)C(CC1=C(C(=C(C=C1O)O)C(=O)C)OC)O
Canonical Smiles
CC(=C)C(CC1=C(C(=C(C=C1O)O)C(=O)C)OC)O
Herb Alias Names
ACRONYCULATIN D1-(4,6-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-2-methoxyphenyl)ethanone1-[4,6-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-2-methoxyphenyl]ethanoneCHEMBL457948578716-70-8
Molecular Weight
266.120
Molecular Weight
266.29 g/mol
Molecular Formula
C14H18O5
Molecular Formula
C14H18O5
Molecular Formula
C14H18O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.852
Quantitative Estimate Of Drug Likeness（Qed）
0.558