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
- 30054
- Core Entity Id
- 36590
- Source Entity Count
- 1
- Preferred Name
- Piperalol
- Name En
- Pubchem Id
- 101317814
- Smiles Canonical
- CC1C=C(C(C(C2C1CC(C2)(C)C)O)CO)C=O
- Molecular Formula
- C15H24O3
- Molecular Weight
- 252.3540
- Inchikey
- MABZIKXHSLOMDZ-OMRNGCIESA-N
- Inchi
- InChI=1S/C15H24O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7,9,11-14,17-18H,5-6,8H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1
- Isomeric Smiles
- C[C@H]1C=C([C@@H]([C@H]([C@H]2[C@@H]1CC(C2)(C)C)O)CO)C=O
- Cas Id
- Ob Score
- Mol Logp
- 1.7832
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Piperalol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Piperalol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Piperalol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
毛头乳菇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO TOU RU GU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Pink-fringed Milky
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3aR,4S,5R,8R,8aR)-1,2,3,3a,4,5,8,8a-Octahydro-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-6-azulenecarboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
(3aR,4S,5R,8R,8aR)-1,2,3,3a,4,5,8,8a-Octahydro-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-6-azulenecarboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3aR,4S,5R,8R,8aR)-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-6-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3aR,4S,5R,8R,8aR)-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-6-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174341
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174341
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID201106881
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID201106881
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛头乳菇MAO TOU RU GUPink-fringed Milky(3aR,4S,5R,8R,8aR)-1,2,3,3a,4,5,8,8a-Octahydro-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-6-azulenecarboxaldehyde(3aR,4S,5R,8R,8aR)-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-6-carbaldehydeCHEBI:174341DTXSID201106881
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040047
Npass
NPC208038
Tcmid
17419
Pub Chem
101317814
Tcmbank
TCMBANKIN039065
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7,9,11-14,17-18H,5-6,8H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1
Mol Wt
252.354
Mol Log P
1.7832
In Ch Ikey
MABZIKXHSLOMDZ-OMRNGCIESA-N
Tcm Name
毛头乳菇
Tcm Name2
MAO TOU RU GU
Mol2 Path
/TCM_database/2007_3d_all/17433.mol2
Reference
3239
Num Hdonors
2
Tcm Name En
Pink-fringed Milky
Drug Likeness
0.737
Num Hacceptors
3
Isomeric Smiles
C[C@H]1C=C([C@@H]([C@H]([C@H]2[C@@H]1CC(C2)(C)C)O)CO)C=O
Canonical Smiles
CC1C=C(C(C(C2C1CC(C2)(C)C)O)CO)C=O
Herb Alias Names
CHEBI:174341DTXSID201106881(3aR,4S,5R,8R,8aR)-1,2,3,3a,4,5,8,8a-Octahydro-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-6-azulenecarboxaldehyde(3aR,4S,5R,8R,8aR)-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-6-carbaldehyde
Molecular Weight
252.35 g/mol
Molecular Formula
C15H24O3
Num Rotatable Bonds
2