Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18338
- Core Entity Id
- 23561
- Source Entity Count
- 1
- Preferred Name
- Epxyguaine
- Name En
- Pubchem Id
- 101910434
- Smiles Canonical
- CC1CCC(CC23C1(O2)CCC3C)C(=C)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- RGRYQUWGSJPMMK-VQJWOFKYSA-N
- Inchi
- InChI=1S/C15H24O/c1-10(2)13-6-5-11(3)14-8-7-12(4)15(14,9-13)16-14/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,14+,15+/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@H](C[C@@]23[C@@]1(O2)CC[C@@H]3C)C(=C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9364
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Epxyguaine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Epxyguaine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Epxyguaine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Epxyguaine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Epxyguaine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
XIANG FU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nutgrass Galingale
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
10410-05-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
10410-05-6
Role
alias
Source
HERB_v2
Preferred
No
Name
1H,4H-3a,8a-Epoxyazulene, hexahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1I+/-,3aI(2),4I+/-,7I+/-,8aI(2))]-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H,4H-3a,8a-Epoxyazulene, hexahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1I+/-,3aI(2),4I+/-,7I+/-,8aI(2))]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID001117341
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID001117341
Role
alias
Source
HERB_v2
Preferred
No
Name
Epoxyguaine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
香附
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SCHEMBL21093617
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
XIANG FUNutgrass Galingale10410-05-61H,4H-3a,8a-Epoxyazulene, hexahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1I+/-,3aI(2),4I+/-,7I+/-,8aI(2))]-DTXSID001117341Epoxyguaine香附SCHEMBL21093617
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025470HBIN025456
Npass
NPC104080NPC220972
Tcmid
309517101
Sym Map
SMIT19186SMIT15284
Pub Chem
1019104345317144
Tcmbank
TCMBANKIN024838TCMBANKIN026418TCMBANKIN060464
Etcm Ingredient
Epxyguaine
Itcmdb Generated
ITX-INGREDIENT-0DD65FA29AE0ITX-INGREDIENT-D93E96B9B807ITX-INGREDIENT-4005C683A84FITX-INGREDIENT-4C22537B698F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24O/c1-10(2)13-6-5-11(3)14-8-7-12(4)15(14,9-13)16-14/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,14+,15+/m0/s1
Mol Wt
220.3559999999999
Smiles
CC1CCC(CC23C1(O2)CCC3C)C(=C)C
Mol Log P
3.936400000000003
Version
v1,v2
In Ch Ikey
RGRYQUWGSJPMMK-VQJWOFKYSA-N
Suppress
0
Tcm Name
香附
Tcm Name2
XIANG FU
Mol2 Path
/TCM_database/2007_3d_all/07102.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Nutgrass Galingale
Drug Likeness
0.482
Num Hacceptors
1
Isomeric Smiles
C[C@H]1CC[C@H](C[C@@]23[C@@]1(O2)CC[C@@H]3C)C(=C)C
Canonical Smiles
CC1CCC(CC23C1(O2)CCC3C)C(=C)C
Herb Alias Names
DTXSID00111734110410-05-61H,4H-3a,8a-Epoxyazulene, hexahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1I+/-,3aI(2),4I+/-,7I+/-,8aI(2))]-
Molecular Weight
220.180
Molecule Formula
C15H24O
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.724
Quantitative Estimate Of Drug Likeness（Qed）
0.482