Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26821
- Core Entity Id
- 33004
- Source Entity Count
- 1
- Preferred Name
- Muricatacin
- Name En
- Pubchem Id
- 10016749
- Smiles Canonical
- CCCCCCCCCCCCC(C1CCC(=O)O1)O
- Molecular Formula
- C17H32O3
- Molecular Weight
- 284.4400
- Inchikey
- VFLQJBVJJLGBKM-HZPDHXFCSA-N
- Inchi
- InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3/t15-,16-/m1/s1
- Isomeric Smiles
- CCCCCCCCCCCC[C@H]([C@H]1CCC(=O)O1)O
- Cas Id
- Ob Score
- Mol Logp
- 4.3639
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.4280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Muricatacin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Muricatacin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Muricatacin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
muricatacin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-5-epi-muricatacin
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-5-epi-muricatacin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Muricatacin
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Muricatacin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
134698-86-5
Role
alias
Source
HERB_v2
Preferred
No
Name
134698-86-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
2(3H)-Furanone, dihydro-5-(1-hydroxytridecyl)-, (R-(R*,R*))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2(3H)-Furanone, dihydro-5-(1-hydroxytridecyl)-, (R-(R*,R*))-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:185820
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:185820
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL487910
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL487910
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10158864
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10158864
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-5-epi-muricatacin(-)-Muricatacin(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-one134698-86-52(3H)-Furanone, dihydro-5-(1-hydroxytridecyl)-, (R-(R*,R*))-CHEBI:185820CHEMBL487910DTXSID10158864
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035954
Tcmid
15074
Pub Chem
100167493035657
Tcmbank
TCMBANKIN004702
Etcm Ingredient
Muricatacin
Itcmdb Generated
ITX-INGREDIENT-FC574E9F8491
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17(19)20-16/h15-16,18H,2-14H2,1H3/t15-,16-/m1/s1
Mol Wt
284.4399999999999
Smiles
CCCCCCCCCCCCC(C1CCC(=O)O1)O
Mol Log P
4.363900000000004
In Ch Ikey
VFLQJBVJJLGBKM-HZPDHXFCSA-N
Num Hdonors
1
Drug Likeness
0.428
Num Hacceptors
3
Isomeric Smiles
CCCCCCCCCCCC[C@H]([C@H]1CCC(=O)O1)O
Canonical Smiles
CCCCCCCCCCCCC(C1CCC(=O)O1)O
Herb Alias Names
134698-86-5(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-one(+)-5-epi-muricatacin(-)-MuricatacinCHEMBL487910DTXSID10158864CHEBI:1858202(3H)-Furanone, dihydro-5-(1-hydroxytridecyl)-, (R-(R*,R*))-
Molecular Weight
284.240
Molecular Weight
284.4 g/mol
Molecular Formula
C17H32O3
Molecular Formula
C17H32O3
Molecular Formula
C17H32O3
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.040
Quantitative Estimate Of Drug Likeness（Qed）
0.428