Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 1Herb: 9Ingredient: 1Reference: 3Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26869
- Core Entity Id
- 33057
- Source Entity Count
- 1
- Preferred Name
- Muscone
- Name En
- Pubchem Id
- 10947
- Smiles Canonical
- CC1CCCCCCCCCCCCC(=O)C1
- Molecular Formula
- C16H30O
- Molecular Weight
- 238.4150
- Inchikey
- ALHUZKCOMYUFRB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3
- Isomeric Smiles
- CC1CCCCCCCCCCCCC(=O)C1
- Cas Id
- Ob Score
- Mol Logp
- 5.2765
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Muscone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Muscone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Muscone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
muscone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+/-)-Muscone
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-Muscone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylcyclopentadecan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methylcyclopentadecan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylcyclopentadecanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylcyclopentadecanone
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methylcyclopentadecanone-1
Role
alias
Source
TCMBank
Preferred
No
Name
541-91-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
541-91-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopentadecanone, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopentadecanone, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
MUSKONE
Role
alias
Source
HERB_v2
Preferred
No
Name
MUSKONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methylexaltone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methylexaltone
Role
alias
Source
HERB_v2
Preferred
No
Name
Moschus ketone
Role
alias
Source
HERB_v2
Preferred
No
Name
Moschus ketone
Role
alias
Source
itcmdb_public
Preferred
No
Name
dl-muscone
Role
alias
Source
HERB_v2
Preferred
No
Name
dl-muscone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+/-)-Muscone3-Methylcyclopentadecan-1-one3-Methylcyclopentadecanone3-methylcyclopentadecanone-1541-91-3Cyclopentadecanone, 3-methyl-MUSKONEMethylexaltoneMoschus ketonedl-muscone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036017
Npass
NPC325982
Tcmid
15121
Sym Map
SMIT19595
Tcm Id
154461544715448191672123424893
Pub Chem
10947
Tcmbank
TCMBANKIN007519
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3
Mol Wt
238.4149999999999
Smiles
CC1CCCCCCCCCCCCC(=O)C1
Mol Log P
5.276500000000005
Version
v1,v2
In Ch Ikey
ALHUZKCOMYUFRB-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.561
Num Hacceptors
1
Isomeric Smiles
CC1CCCCCCCCCCCCC(=O)C1
Canonical Smiles
CC1CCCCCCCCCCCCC(=O)C1
Herb Alias Names
3-Methylcyclopentadecanone541-91-33-Methylcyclopentadecan-1-oneMUSKONECyclopentadecanone, 3-methyl-MethylexaltoneMoschus ketonedl-muscone(+/-)-Muscone
Molecular Weight
238.41 g/mol
Molecular Formula
C16H30O
Molecular Formula
C16H30O
Num Rotatable Bonds
0