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
- 30048
- Core Entity Id
- 36583
- Source Entity Count
- 1
- Preferred Name
- Pipelol a
- Name En
- Pubchem Id
- 10967052
- Smiles Canonical
- CC1(C2C1C3C(CCC3(C)O)C(CC2)(CO)O)C
- Molecular Formula
- C15H26O3
- Molecular Weight
- 254.3700
- Inchikey
- DPJNFIIBULGARZ-OOAGNDBOSA-N
- Inchi
- InChI=1S/C15H26O3/c1-13(2)9-5-7-15(18,8-16)10-4-6-14(3,17)12(10)11(9)13/h9-12,16-18H,4-8H2,1-3H3/t9-,10-,11-,12-,14+,15+/m0/s1
- Isomeric Smiles
- C[C@]1(CC[C@H]2[C@H]1[C@@H]3[C@@H](C3(C)C)CC[C@]2(CO)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5530
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pipelol A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pipelol a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pipelol a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
长胡椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG HU JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长胡椒CHANG HU JIAO
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040041
Tcmid
17413
Pub Chem
10967052
Tcmbank
TCMBANKIN042310
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26O3/c1-13(2)9-5-7-15(18,8-16)10-4-6-14(3,17)12(10)11(9)13/h9-12,16-18H,4-8H2,1-3H3/t9-,10-,11-,12-,14+,15+/m0/s1
Mol Wt
254.3699999999999
Mol Log P
1.553
In Ch Ikey
DPJNFIIBULGARZ-OOAGNDBOSA-N
Tcm Name
长胡椒
Tcm Name2
CHANG HU JIAO
Mol2 Path
/TCM_database/2007_3d_all/17427.mol2
Reference
4239
Num Hdonors
3
Drug Likeness
0.665
Num Hacceptors
3
Isomeric Smiles
C[C@]1(CC[C@H]2[C@H]1[C@@H]3[C@@H](C3(C)C)CC[C@]2(CO)O)O
Canonical Smiles
CC1(C2C1C3C(CCC3(C)O)C(CC2)(CO)O)C
Molecular Formula
C15H26O3
Num Rotatable Bonds
1