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
- 26504
- Core Entity Id
- 32649
- Source Entity Count
- 1
- Preferred Name
- Mioporosidegenin
- Name En
- Pubchem Id
- 5319847
- Smiles Canonical
- CC1(CC(C2C1C(OC(C2)OC)OC)OC)O
- Molecular Formula
- C12H22O5
- Molecular Weight
- 246.3030
- Inchikey
- AFKZZDROSIVIDQ-MUFLBICUSA-N
- Inchi
- InChI=1S/C12H22O5/c1-12(13)6-8(14-2)7-5-9(15-3)17-11(16-4)10(7)12/h7-11,13H,5-6H2,1-4H3/t7?,8-,9?,10?,11?,12+/m1/s1
- Isomeric Smiles
- C[C@@]1(C[C@H](C2C1C(OC(C2)OC)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 0.7538
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mioporosidegenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mioporosidegenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mioporosidegenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
mioporosidegenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(5R,7S)-1,3,5-trimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5R,7S)-1,3,5-trimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:229174
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229174
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(5R,7S)-1,3,5-trimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-7-olCHEBI:229174
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035572
Npass
NPC72993
Tcmid
14870
Pub Chem
5319847
Tcmbank
TCMBANKIN011090
Etcm Ingredient
Mioporosidegenin
Itcmdb Generated
ITX-INGREDIENT-9F3304B9E728
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H22O5/c1-12(13)6-8(14-2)7-5-9(15-3)17-11(16-4)10(7)12/h7-11,13H,5-6H2,1-4H3/t7?,8-,9?,10?,11?,12+/m1/s1
Mol Wt
246.3029999999999
Smiles
CC1(CC(C2C1C(OC(C2)OC)OC)OC)O
Mol Log P
0.7537999999999998
In Ch Ikey
AFKZZDROSIVIDQ-MUFLBICUSA-N
Num Hdonors
1
Drug Likeness
0.796
Num Hacceptors
5
Isomeric Smiles
C[C@@]1(C[C@H](C2C1C(OC(C2)OC)OC)OC)O
Canonical Smiles
CC1(CC(C2C1C(OC(C2)OC)OC)OC)O
Herb Alias Names
CHEBI:229174(5R,7S)-1,3,5-trimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-7-ol
Molecular Weight
246.150
Molecular Formula
C12H22O5
Molecular Formula
C12H22O5
Molecular Formula
C12H22O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.796