Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19818
- Core Entity Id
- 25209
- Source Entity Count
- 1
- Preferred Name
- Ganoderiol e
- Name En
- Pubchem Id
- 15602280
- Smiles Canonical
- CC(CCC=C(CO)CO)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C
- Molecular Formula
- C30H48O4
- Molecular Weight
- 472.7100
- Inchikey
- SFOQBXHAGFVBPZ-ISSSRCBTSA-N
- Inchi
- InChI=1S/C30H48O4/c1-19(8-7-9-20(17-31)18-32)21-10-15-30(6)26-22(11-14-29(21,30)5)28(4)13-12-25(34)27(2,3)24(28)16-23(26)33/h9,19,21,24-25,31-32,34H,7-8,10-18H2,1-6H3/t19-,21-,24+,25+,28-,29-,30+/m1/s1
- Isomeric Smiles
- C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
- Cas Id
- 114567-46-3
- Ob Score
- 27.8696
- Mol Logp
- 5.6029
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ganoderiol E
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ganoderiol E
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ganoderiol e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganoderiol e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ganoderiol E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
114567-46-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
114567-46-3
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID501317932
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID501317932
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
114567-46-3DTXSID501317932
Cross References
Trusted external identifiers retained for this final record.
Cas
114567-46-3
Herb
HBIN027290
Tcmsp
MOL011234
Sym Map
SMIT12162
Pub Chem
1560228015602281
Tcmbank
TCMBANKIN025738
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H48O4/c1-19(8-7-9-20(17-31)18-32)21-10-15-30(6)26-22(11-14-29(21,30)5)28(4)13-12-25(34)27(2,3)24(28)16-23(26)33/h9,19,21,24-25,31-32,34H,7-8,10-18H2,1-6H3/t19-,21-,24+,25+,28-,29-,30+/m1/s1
Mol Wt
472.7100000000003
Cas Id
114567-46-3
Smiles
CC(CCC=C(CO)CO)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C
Mol Log P
5.602900000000007
Version
v1,v2
In Ch Ikey
SFOQBXHAGFVBPZ-ISSSRCBTSA-N
Ob Score
27.869552827.86955327.87
Suppress
0
Num Hdonors
3
Drug Likeness
0.44
Num Hacceptors
4
Isomeric Smiles
C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Molecule Weight
472.78
Canonical Smiles
CC(CCC=C(CO)CO)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C
Herb Alias Names
114567-46-3DTXSID501317932
Molecular Weight
472.7
Molecular Formula
C30H48O4
Molecular Formula
C30H48O4
Num Rotatable Bonds
6