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
- 29420
- Core Entity Id
- 35886
- Source Entity Count
- 1
- Preferred Name
- Periforgenin a
- Name En
- Pubchem Id
- 101575839
- Smiles Canonical
- CC12CCC3C4(CCC(CC4(CCC3(C1=O)CCC2C5=CC(=O)OC5)O)O)C
- Molecular Formula
- C23H32O5
- Molecular Weight
- 388.5040
- Inchikey
- YWDQEEZIAVKYSZ-SHRRHQSWSA-N
- Inchi
- InChI=1S/C23H32O5/c1-20-6-5-17-21(2)7-3-15(24)12-23(21,27)10-9-22(17,19(20)26)8-4-16(20)14-11-18(25)28-13-14/h11,15-17,24,27H,3-10,12-13H2,1-2H3/t15-,16+,17+,20+,21+,22-,23-/m0/s1
- Isomeric Smiles
- C[C@]12CC[C@@H]3[C@]4(CC[C@@H](C[C@]4(CC[C@@]3(C1=O)CC[C@@H]2C5=CC(=O)OC5)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9274
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Periforgenin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Periforgenin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
periforgenin a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039221
Tcmid
16910
Pub Chem
101575839
Tcmbank
TCMBANKIN041147
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H32O5/c1-20-6-5-17-21(2)7-3-15(24)12-23(21,27)10-9-22(17,19(20)26)8-4-16(20)14-11-18(25)28-13-14/h11,15-17,24,27H,3-10,12-13H2,1-2H3/t15-,16+,17+,20+,21+,22-,23-/m0/s1
Mol Wt
388.5040000000001
Smiles
CC12CCC3C4(CCC(CC4(CCC3(C1=O)CCC2C5=CC(=O)OC5)O)O)C
Mol Log P
2.927400000000002
In Ch Ikey
YWDQEEZIAVKYSZ-SHRRHQSWSA-N
Mol2 Path
/TCM_database/2007_3d_all/16923.mol2
Reference
2498
Num Hdonors
2
Drug Likeness
0.675
Num Hacceptors
5
Isomeric Smiles
C[C@]12CC[C@@H]3[C@]4(CC[C@@H](C[C@]4(CC[C@@]3(C1=O)CC[C@@H]2C5=CC(=O)OC5)O)O)C
Canonical Smiles
CC12CCC3C4(CCC(CC4(CCC3(C1=O)CCC2C5=CC(=O)OC5)O)O)C
Molecular Formula
C23H32O5
Molecular Formula
C23H32O5
Num Rotatable Bonds
1