Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2007
- Core Entity Id
- 5419
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxy-cyclopentadecanone
- Name En
- Pubchem Id
- 543400
- Smiles Canonical
- C1CCCCCCC(C(=O)CCCCCC1)O
- Molecular Formula
- C15H28O2
- Molecular Weight
- 240.3870
- Inchikey
- UCPNHIPCCLLQGA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H28O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)17/h14,16H,1-13H2
- Isomeric Smiles
- C1CCCCCCC(C(=O)CCCCCC1)O
- Cas Id
- Ob Score
- Mol Logp
- 4.0013
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-hydroxy-cyclopentadecanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-hydroxy-cyclopentadecanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-hydroxy-cyclopentadecanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-hydroxycyclopentadecanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Hydroxycyclopentadecanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxycyclopentadecanone #
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxycyclopentadecan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxycyclopentadecan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4727-18-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4727-18-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopentadecanone, 2-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopentadecanone, 2-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30863443
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30863443
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2864371
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2864371
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-hydroxycyclopentadecanone2-Hydroxycyclopentadecanone #2-hydroxycyclopentadecan-1-one4727-18-8Cyclopentadecanone, 2-hydroxy-DTXSID30863443SCHEMBL2864371
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005794
Npass
NPC98049
Tcmid
33884
Pub Chem
543400
Tcmbank
TCMBANKIN035939
Etcm Ingredient
2-hydroxycyclopentadecanone
Itcmdb Generated
ITX-INGREDIENT-833C95ED23E8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H28O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)17/h14,16H,1-13H2
Mol Wt
240.3869999999999
Smiles
C1CCCCCCC(C(=O)CCCCCC1)O
Mol Log P
4.001300000000004
In Ch Ikey
UCPNHIPCCLLQGA-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.695
Num Hacceptors
2
Isomeric Smiles
C1CCCCCCC(C(=O)CCCCCC1)O
Canonical Smiles
C1CCCCCCC(C(=O)CCCCCC1)O
Herb Alias Names
2-Hydroxycyclopentadecanone2-hydroxycyclopentadecan-1-one4727-18-8Cyclopentadecanone, 2-hydroxy-Cyclopentadecanone,2-hydroxy2-Hydroxycyclopentadecanone #SCHEMBL28643712-hydroxy-cyclopentadecan-1-oneDTXSID30863443
Molecular Weight
240.210
Molecular Weight
240.38 g/mol
Molecular Formula
C15H28O2
Molecular Formula
C15H28O2
Molecular Formula
C15H28O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.076
Quantitative Estimate Of Drug Likeness（Qed）
0.695