Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7803
- Core Entity Id
- 11849
- Source Entity Count
- 1
- Preferred Name
- (6r)-6-pentyloxan-2-one
- Name En
- Pubchem Id
- 1714996
- Smiles Canonical
- CCCCCC1CCCC(=O)O1
- Molecular Formula
- C10H18O2
- Molecular Weight
- 170.2520
- Inchikey
- GHBSPIPJMLAMEP-SECBINFHSA-N
- Inchi
- InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1
- Isomeric Smiles
- CCCCC[C@@H]1CCCC(=O)O1
- Cas Id
- 705-86-2
- Ob Score
- 49.8506
- Mol Logp
- 2.6624
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(6R)-6-Pentyloxan-2-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(6R)-6-Pentyloxan-2-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(6R)-6-pentyloxan-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(6R)-6-pentyloxan-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(6r)-6-pentyloxan-2-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(6r)-6-pentyloxan-2-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(5R)-(+)-Decanolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5R)-(+)-Decanolide
Role
alias
Source
HERB_v2
Preferred
No
Name
(6R)-6-amyltetrahydropyran-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
(6R)-6-pentyl-2-tetrahydropyranone
Role
alias
Source
TCMBank
Preferred
No
Name
(6R)-6-pentyltetrahydropyran-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-6-Pentyltetrahydropyran-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-6-Pentyltetrahydropyran-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-delta-Decalactone
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-delta-Decalactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2825-91-4
Role
alias
Source
HERB_v2
Preferred
No
Name
2825-91-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-delta-Decalactone
Role
alias
Source
HERB_v2
Preferred
No
Name
D-delta-Decalactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-37370L6J1V
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-37370L6J1V
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC02031351
Role
alias
Source
TCMBank
Preferred
No
Name
delta-Decalactone R-form [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
delta-Decalactone R-form [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
delta-Decalactone, (+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
delta-Decalactone, (+)-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(5R)-(+)-Decanolide(6R)-6-amyltetrahydropyran-2-one(6R)-6-pentyl-2-tetrahydropyranone(6R)-6-pentyltetrahydropyran-2-one(R)-6-Pentyltetrahydropyran-2-one(R)-delta-Decalactone2825-91-4D-delta-DecalactoneUNII-37370L6J1VZINC02031351delta-Decalactone R-form [MI]delta-Decalactone, (+)-
Cross References
Trusted external identifiers retained for this final record.
Cas
705-86-2
Herb
HBIN012773
Tcmsp
MOL006106
Sym Map
SMIT07776
Pub Chem
1714996
Tcmbank
TCMBANKIN025174
Etcm Ingredient
(6R)-6-pentyloxan-2-one
Itcmdb Generated
ITX-INGREDIENT-BCDBA6F76382
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1
Mol Wt
170.252
Cas Id
705-86-2
Mol Log P
2.662400000000001
Version
v1,v2
In Ch Ikey
GHBSPIPJMLAMEP-SECBINFHSA-N
Ob Score
49.85055549.8505552549.851
Suppress
0
Num Hdonors
0
Drug Likeness
0.479
Num Hacceptors
2
Isomeric Smiles
CCCCC[C@@H]1CCCC(=O)O1
Molecule Weight
170.28
Canonical Smiles
CCCCCC1CCCC(=O)O1
Herb Alias Names
delta-Decalactone, (+)-(R)-delta-DecalactoneD-delta-Decalactone(5R)-(+)-Decanolide2825-91-4(R)-6-Pentyltetrahydropyran-2-oneR-(+)-delta-Decalactonedelta-Decalactone R-form [MI]UNII-37370L6J1V
Molecular Weight
170.130
Molecular Weight
170.25
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Molecular Formula
C10H18O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.745
Quantitative Estimate Of Drug Likeness（Qed）
0.479