Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14603
- Core Entity Id
- 19396
- Source Entity Count
- 1
- Preferred Name
- Cis-2-decalone
- Name En
- Pubchem Id
- 246289
- Smiles Canonical
- C1CCC2CC(=O)CCC2C1
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.2370
- Inchikey
- LGVJRKCQQHOWAU-DTWKUNHWSA-N
- Inchi
- InChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9+/m0/s1
- Isomeric Smiles
- C1CC[C@@H]2CC(=O)CC[C@@H]2C1
- Cas Id
- 1579-21-1
- Ob Score
- 43.8248
- Mol Logp
- 2.5458
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cis-2-Decalone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cis-2-Decalone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cis-2-decalone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cis-2-decalone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cis-2-Decalone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
cis-2-Decalone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(-)-cis-2-Decalone
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-cis-2-Decalone
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-cis-2-Decalone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS,8aR)-2-decalinone
Role
alias
Source
TCMBank
Preferred
No
Name
(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS,8aR)-decalin-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
1579-21-1
Role
alias
Source
TCMBank
Preferred
No
Name
1579-21-1
Role
alias
Source
HERB_v2
Preferred
No
Name
1579-21-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
1T26M36ZIE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1T26M36ZIE
Role
alias
Source
HERB_v2
Preferred
No
Name
2(1H)-Naphthalenone, octahydro-, cis-
Role
alias
Source
HERB_v2
Preferred
No
Name
2(1H)-Naphthalenone, octahydro-, cis-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Decalone, cis-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Decalone, cis-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-59022
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-59022
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC59022
Role
alias
Source
TCMBank
Preferred
No
Name
Octahydro-2(1H)-naphthalenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octahydro-2(1H)-naphthalenone
Role
alias
Source
TCMBank
Preferred
No
Name
Octahydro-2(1H)-naphthalenone
Role
alias
Source
HERB_v2
Preferred
No
Name
ZINC01565312
Role
alias
Source
TCMBank
Preferred
No
Name
cis-.beta.-Decalone
Role
alias
Source
TCMBank
Preferred
No
Name
cis-.beta.-Decalone
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-.beta.-Decalone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-cis-2-Decalone(4aS,8aR)-2-decalinone(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one(4aS,8aR)-decalin-2-one1579-21-11T26M36ZIE2(1H)-Naphthalenone, octahydro-, cis-2-Decalone, cis-NSC-59022NSC59022Octahydro-2(1H)-naphthalenoneZINC01565312cis-.beta.-Decalone
Cross References
Trusted external identifiers retained for this final record.
Cas
1579-21-1
Herb
HBIN020751
Tcmsp
MOL001605
Sym Map
SMIT03992
Pub Chem
246289
Tcmbank
TCMBANKIN011196
Etcm Ingredient
cis-2-Decalone
Itcmdb Generated
ITX-INGREDIENT-3DD11BFEA45F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2/t8-,9+/m0/s1
Mol Wt
152.237
Cas Id
1579-21-1
Smiles
C1CCC2CC(=O)CCC2C1
Mol Log P
2.545800000000001
Version
v1,v2
In Ch Ikey
LGVJRKCQQHOWAU-DTWKUNHWSA-N
Ob Score
43.8248057743.82480643.825
Suppress
0
Num Hdonors
0
Drug Likeness
0.521
Num Hacceptors
1
Isomeric Smiles
C1CC[C@@H]2CC(=O)CC[C@@H]2C1
Molecule Weight
152.26
Canonical Smiles
C1CCC2CC(=O)CCC2C1
Herb Alias Names
1579-21-12-Decalone, cis-Octahydro-2(1H)-naphthalenonecis-.beta.-Decalone(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one2(1H)-Naphthalenone, octahydro-, cis-1T26M36ZIENSC-59022(-)-cis-2-Decalone
Molecular Weight
152.120
Molecular Weight
152.23
Molecular Formula
C10H16O
Molecular Formula
C10H16O
Molecular Formula
C10H16O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.495
Quantitative Estimate Of Drug Likeness（Qed）
0.521