Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7969
- Core Entity Id
- 12033
- Source Entity Count
- 1
- Preferred Name
- (6r,7e)-9-hydroxy-4,7-me-gastigmadien-3-one
- Name En
- Pubchem Id
- 21630891
- Smiles Canonical
- CC1=CC(=O)CC(C1C=CC(C)O)(C)C
- Molecular Formula
- C13H20O2
- Molecular Weight
- 208.3010
- Inchikey
- MDCGEAGEQVMWPE-FANORHCKSA-N
- Inchi
- InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+/t10-,12-/m0/s1
- Isomeric Smiles
- CC1=CC(=O)CC([C@H]1/C=C/[C@H](C)O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.4849
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(6R, 7E)-9-Hydroxy-4, 7-Me-Gastigmadien-3- One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(6R, 7E)-9-Hydroxy-4, 7-Me-Gastigmadien-3- One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(6R, 7E)-9-hydroxy-4, 7-me-gastigmadien-3- one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(6r,7e)-9-hydroxy-4,7-me-gastigmadien-3-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(6r,7e)-9-hydroxy-4,7-me-gastigmadien-3-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(6R, 7E)-9-Hydroxy-4, 7-Me-Gastigmadien-3- One
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012776
Tcmid
103684284142846
Sym Map
SMIT19880
Pub Chem
21630891
Tcmbank
TCMBANKIN059887
Itcmdb Generated
ITX-INGREDIENT-3F294D0F7EFA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+/t10-,12-/m0/s1
Mol Wt
208.301
Smiles
CC1=CC(=O)CC(C1C=CC(C)O)(C)C
Mol Log P
2.484900000000001
Version
v2
In Ch Ikey
MDCGEAGEQVMWPE-FANORHCKSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.708
Num Hacceptors
2
Isomeric Smiles
CC1=CC(=O)CC([C@H]1/C=C/[C@H](C)O)(C)C
Canonical Smiles
CC1=CC(=O)CC(C1C=CC(C)O)(C)C
Molecular Formula
C13H20O2
Molecular Formula
C13H20O2
Num Rotatable Bonds
2