Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7994
- Core Entity Id
- 12059
- Source Entity Count
- 1
- Preferred Name
- (6s)-6-pentyl-5,6-dihydropyran-2-one
- Name En
- Pubchem Id
- 404821
- Smiles Canonical
- CCCCCC1CC=CC(=O)O1
- Molecular Formula
- C10H16O2
- Molecular Weight
- 168.2360
- Inchikey
- NEDIAPMWNCQWNW-VIFPVBQESA-N
- Inchi
- InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3/t9-/m0/s1
- Isomeric Smiles
- CCCCC[C@H]1CC=CC(=O)O1
- Cas Id
- 54814-64-1
- Ob Score
- 20.9957
- Mol Logp
- 2.4384
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(6S)-6-Pentyl-5,6-Dihydropyran-2-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(6S)-6-pentyl-5,6-dihydropyran-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(6S)-6-pentyl-5,6-dihydropyran-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(6s)-6-pentyl-5,6-dihydropyran-2-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(6s)-6-pentyl-5,6-dihydropyran-2-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-Massoia lactone
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Massoia lactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Massoilactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Massoilactone
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-pentyl-2,3-dihydropyran-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-pentyl-2,3-dihydropyran-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6S)-6-amyl-5,6-dihydropyran-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
(R)- 5,6-Dihydro-6-pentyl-2H-pyran-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-(+)-Massoia lactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-(+)-Massoialactone
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-DECEN-5-OLIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-2-DECEN-5-OLIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
61248-45-1
Role
alias
Source
HERB_v2
Preferred
No
Name
61248-45-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Massoialactone, (S)-(+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Massoialactone, (S)-(+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCI60_041517
Role
alias
Source
TCMBank
Preferred
No
Name
NSC721360
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-88BQO1SP2P
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-88BQO1SP2P
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6-Dihydro-6-Pentyl-2H- Pyran-2-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5,6-dihydro-6-pentyl-2H- pyran-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,6-dihydro-6-pentyl-2h-pyran-2-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+/-)-Massoilactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-decen-5-olide
Role
alias
Source
HERB_v2
Preferred
No
Name
2-pentyl-2,3-dihydropyran-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-Pyran-2-one, 5,6-dihydro-6-pentyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-decenoic acid lactone
Role
alias
Source
HERB_v2
Preferred
No
Name
54814-64-1
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Pentyl-5,6-dihydro-2H-pyran-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
KUC3Q7KGG6
Role
alias
Source
HERB_v2
Preferred
No
Name
Massoia lactone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Massoia lactone(+)-Massoilactone(2S)-2-pentyl-2,3-dihydropyran-6-one(6S)-6-amyl-5,6-dihydropyran-2-one(R)- 5,6-Dihydro-6-pentyl-2H-pyran-2-one(S)-(+)-Massoia lactone(S)-(+)-Massoialactone(S)-2-DECEN-5-OLIDE61248-45-1Massoialactone, (S)-(+)-NCI60_041517NSC721360UNII-88BQO1SP2P5,6-Dihydro-6-Pentyl-2H- Pyran-2-One5,6-dihydro-6-pentyl-2h-pyran-2-one(+/-)-Massoilactone2-decen-5-olide2-pentyl-2,3-dihydropyran-6-one2H-Pyran-2-one, 5,6-dihydro-6-pentyl-5-hydroxy-2-decenoic acid lactone54814-64-16-Pentyl-5,6-dihydro-2H-pyran-2-oneKUC3Q7KGG6Massoia lactone
Cross References
Trusted external identifiers retained for this final record.
Cas
54814-64-1
Herb
HBIN012802HBIN011131
Npass
NPC159650
Tcmid
40602
Tcmsp
MOL004681
Sym Map
SMIT06555SMIT21625
Pub Chem
40482139914
Tcmbank
TCMBANKIN005317TCMBANKIN007696
Etcm Ingredient
(6S)-6-pentyl-5,6-dihydropyran-2-one
Itcmdb Generated
ITX-INGREDIENT-7F570DF8FC20ITX-INGREDIENT-866EC83793E0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3/t9-/m0/s1
Mol Wt
168.236
Cas Id
54814-64-1
Smiles
CCCCCC1CC=CC(=O)O1
Mol Log P
2.438400000000001
Version
v1,v2
In Ch Ikey
NEDIAPMWNCQWNW-VIFPVBQESA-N
Ob Score
20.9956826620.99568320.996
Suppress
0
Num Hdonors
0
Drug Likeness
0.476
Num Hacceptors
2
Isomeric Smiles
CCCCC[C@H]1CC=CC(=O)O1
Molecule Weight
168.26
Canonical Smiles
CCCCCC1CC=CC(=O)O1
Herb Alias Names
(S)-(+)-Massoialactone(+)-Massoilactone61248-45-1(S)-2-DECEN-5-OLIDE(S)-Massoia lactone(+)-Massoia lactone(S)-(+)-Massoia lactoneMassoialactone, (S)-(+)-(2S)-2-pentyl-2,3-dihydropyran-6-oneUNII-88BQO1SP2P
Molecular Weight
168.120
Molecular Weight
168.23
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Molecular Formula
C10H16O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.062
Quantitative Estimate Of Drug Likeness（Qed）
0.366