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
- 20057
- Core Entity Id
- 25472
- Source Entity Count
- 1
- Preferred Name
- Germacrane d
- Name En
- Pubchem Id
- 543807
- Smiles Canonical
- CC1CCCC(CCC(CC1)C(C)C)C
- Molecular Formula
- C15H30
- Molecular Weight
- 210.4050
- Inchikey
- IBMAYSYTZAVZPY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H30/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h12-15H,5-11H2,1-4H3
- Isomeric Smiles
- CC1CCCC(CCC(CC1)C(C)C)C
- Cas Id
- 645-10-3
- Ob Score
- 15.4636
- Mol Logp
- 5.2751
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Germacrane D
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Germacrane D
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Germacrane d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Germacrane d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
germacrane D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
germacrane D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,7-Dimethyl-4-(1-methylethyl)cyclodecane
Role
alias
Source
HERB_v2
Preferred
No
Name
1,7-Dimethyl-4-(1-methylethyl)cyclodecane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,7-Dimethyl-4-(1-methylethyl)cyclodecane stereoisomer
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,7-Dimethyl-4-(1-methylethyl)cyclodecane stereoisomer
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Isopropyl-1,7-dimethylcyclodecane #
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Isopropyl-1,7-dimethylcyclodecane #
Role
alias
Source
HERB_v2
Preferred
No
Name
645-10-3
Role
alias
Source
HERB_v2
Preferred
No
Name
645-10-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclodecane, 1,7-dimethyl-4-(1-methylethyl)-, stereoisomer
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclodecane, 1,7-dimethyl-4-(1-methylethyl)-, stereoisomer
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID901022076
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID901022076
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50880713
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50880713
Role
alias
Source
itcmdb_public
Preferred
No
Name
GERMACRANE SKELETON
Role
alias
Source
itcmdb_public
Preferred
No
Name
GERMACRANE SKELETON
Role
alias
Source
HERB_v2
Preferred
No
Name
Germacrane-b
Role
alias
Source
itcmdb_public
Preferred
No
Name
Germacrane-b
Role
alias
Source
HERB_v2
Preferred
No
Name
Germacrane-d
Role
alias
Source
HERB_v2
Preferred
No
Name
Germacrane-d
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,7-Dimethyl-4-(1-methylethyl)cyclodecane1,7-Dimethyl-4-(1-methylethyl)cyclodecane stereoisomer4-Isopropyl-1,7-dimethylcyclodecane #645-10-3Cyclodecane, 1,7-dimethyl-4-(1-methylethyl)-, stereoisomerDTXCID901022076DTXSID50880713GERMACRANE SKELETONGermacrane-bGermacrane-d
Cross References
Trusted external identifiers retained for this final record.
Cas
645-10-3
Herb
HBIN027561
Tcmsp
MOL004176
Sym Map
SMIT06140
Pub Chem
543807
Tcmbank
TCMBANKIN010701
Etcm Ingredient
germacrane D
Itcmdb Generated
ITX-INGREDIENT-420FFCD22957
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H30/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h12-15H,5-11H2,1-4H3
Mol Wt
210.405
Cas Id
645-10-3
Smiles
CC1CCCC(CCC(CC1)C(C)C)C
Mol Log P
5.275100000000005
Version
v1,v2
In Ch Ikey
IBMAYSYTZAVZPY-UHFFFAOYSA-N
Ob Score
15.46357815.4635783815.464
Suppress
0
Num Hdonors
0
Drug Likeness
0.552
Num Hacceptors
0
Isomeric Smiles
CC1CCCC(CCC(CC1)C(C)C)C
Molecule Weight
210.45
Canonical Smiles
CC1CCCC(CCC(CC1)C(C)C)C
Herb Alias Names
1,7-Dimethyl-4-(1-methylethyl)cyclodecane645-10-31,7-Dimethyl-4-(1-methylethyl)cyclodecane stereoisomerCyclodecane, 1,7-dimethyl-4-(1-methylethyl)-, stereoisomerDTXSID50880713Germacrane-bGermacrane-dGERMACRANE SKELETONDTXCID9010220764-Isopropyl-1,7-dimethylcyclodecane #
Molecular Weight
210.230
Molecular Weight
210.4
Molecular Formula
C15H30
Molecular Formula
C15H30
Molecular Formula
C15H30
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.552