Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20064
- Core Entity Id
- 25480
- Source Entity Count
- 1
- Preferred Name
- Germacron
- Name En
- Pubchem Id
- 6436348
- Smiles Canonical
- CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
- Molecular Formula
- C15H22O
- Molecular Weight
- 218.3400
- Inchikey
- CAULGCQHVOVVRN-SWZPTJTJSA-N
- Inchi
- InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+
- Isomeric Smiles
- C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
- Cas Id
- 6902-91-6
- Ob Score
- 32.4960
- Mol Logp
- 4.3585
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Germacron
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Germacron
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Germacron
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dienone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dienone
Role
alias
Source
HERB_v2
Preferred
No
Name
(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,E)-Germacrone
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,E)-Germacrone
Role
alias
Source
itcmdb_public
Preferred
No
Name
6902-91-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
6902-91-6
Role
alias
Source
HERB_v2
Preferred
No
Name
E2WQ6N4FBP
Role
alias
Source
itcmdb_public
Preferred
No
Name
E2WQ6N4FBP
Role
alias
Source
HERB_v2
Preferred
No
Name
Germacrone
Role
alias
Source
HERB_v2
Preferred
No
Name
Germacrone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Germacrone (>90%)
Role
alias
Source
HERB_v2
Preferred
No
Name
Germacrone (>90%)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Germacrone,(S)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Germacrone,(S)
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00210050
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00210050
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dienone(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one(E,E)-Germacrone6902-91-6E2WQ6N4FBPGermacroneGermacrone (>90%)Germacrone,(S)MFCD00210050
Cross References
Trusted external identifiers retained for this final record.
Cas
6902-91-6
Herb
HBIN027572HBIN027574
Npass
NPC301972
Tcmid
238333345033451
Tcmsp
MOL000910MOL001163MOL010729
Sym Map
SMIT00095SMIT03409
Tcm Id
410418234182352273022731
Pub Chem
6436348
Tcmbank
TCMBANKIN059967
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+
Mol Wt
218.3399999999999
Cas Id
6902-91-6
Smiles
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
Mol Log P
4.358500000000004
Version
v1,v2
In Ch Ikey
CAULGCQHVOVVRN-SWZPTJTJSA-N
Ob Score
32.4960070332.49600703;20.30860067
Suppress
0
Num Hdonors
0
Drug Likeness
0.436
Num Hacceptors
1
Isomeric Smiles
C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
Molecule Weight
218.37
Canonical Smiles
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
Herb Alias Names
Germacrone6902-91-6(3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dienoneE2WQ6N4FBP(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-oneGermacrone (>90%)(E,E)-GermacroneGermacrone,(S)MFCD00210050
Molecular Weight
218.33
Molecular Formula
C15H22O
Molecular Formula
C15H22O
Num Rotatable Bonds
0