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
- 30128
- Core Entity Id
- 36673
- Source Entity Count
- 1
- Preferred Name
- Pisiferin
- Name En
- Pubchem Id
- 14587207
- Smiles Canonical
- CC(C)C1=C(C=C2CC3=CCCC(C3CCC2=C1)(C)C)O
- Molecular Formula
- C20H28O
- Molecular Weight
- 284.4430
- Inchikey
- GSLVTONCLQJXSA-GOSISDBHSA-N
- Inchi
- InChI=1S/C20H28O/c1-13(2)17-11-14-7-8-18-15(6-5-9-20(18,3)4)10-16(14)12-19(17)21/h6,11-13,18,21H,5,7-10H2,1-4H3/t18-/m1/s1
- Isomeric Smiles
- CC(C)C1=C(C=C2CC3=CCCC([C@@H]3CCC2=C1)(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 5.3669
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pisiferin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pisiferin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pisiferin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
pisiferin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040140
Npass
NPC256063
Tcmid
17476
Pub Chem
14587207
Tcmbank
TCMBANKIN039188
Etcm Ingredient
Pisiferin
Itcmdb Generated
ITX-INGREDIENT-813E35621C22
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O/c1-13(2)17-11-14-7-8-18-15(6-5-9-20(18,3)4)10-16(14)12-19(17)21/h6,11-13,18,21H,5,7-10H2,1-4H3/t18-/m1/s1
Mol Wt
284.4429999999999
Smiles
CC(C)C1=C(C=C2CC3=CCCC(C3CCC2=C1)(C)C)O
Mol Log P
5.366900000000006
In Ch Ikey
GSLVTONCLQJXSA-GOSISDBHSA-N
Mol2 Path
/TCM_database/2007_3d_all/17490.mol2
Reference
1521, 4538
Num Hdonors
1
Drug Likeness
0.688
Num Hacceptors
1
Isomeric Smiles
CC(C)C1=C(C=C2CC3=CCCC([C@@H]3CCC2=C1)(C)C)O
Canonical Smiles
CC(C)C1=C(C=C2CC3=CCCC(C3CCC2=C1)(C)C)O
Molecular Weight
286.230
Molecular Weight
284.4 g/mol
Molecular Formula
C20H30O
Molecular Formula
C20H28O
Molecular Formula
C20H28O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.908
Quantitative Estimate Of Drug Likeness（Qed）
0.728