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
- 30816
- Core Entity Id
- 37435
- Source Entity Count
- 1
- Preferred Name
- Przewalidine
- Name En
- Pubchem Id
- 101937122
- Smiles Canonical
- C[N+]1(CC2C3=C(CC1C4=CC(=C(C=C24)OC)O)C(=C(C=C3)OC)O)C
- Molecular Formula
- C20H24NO4+
- Molecular Weight
- 342.4150
- Inchikey
- DPPZAYPIPOPCQN-JKSUJKDBSA-O
- Inchi
- InChI=1S/C20H23NO4/c1-21(2)10-15-11-5-6-18(24-3)20(23)14(11)7-16(21)13-8-17(22)19(25-4)9-12(13)15/h5-6,8-9,15-16H,7,10H2,1-4H3,(H-,22,23)/p+1/t15-,16+/m0/s1
- Isomeric Smiles
- C[N+]1(C[C@H]2C3=C(C[C@@H]1C4=CC(=C(C=C24)OC)O)C(=C(C=C3)OC)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9341
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Przewalidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Przewalidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
przewalidine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040981
Tcmid
39458
Pub Chem
101937122
Tcmbank
TCMBANKIN027370
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H23NO4/c1-21(2)10-15-11-5-6-18(24-3)20(23)14(11)7-16(21)13-8-17(22)19(25-4)9-12(13)15/h5-6,8-9,15-16H,7,10H2,1-4H3,(H-,22,23)/p+1/t15-,16+/m0/s1
Mol Wt
342.4150000000001
Smiles
C[N+]1(CC2C3=C(CC1C4=CC(=C(C=C24)OC)O)C(=C(C=C3)OC)O)C
Mol Log P
2.934100000000001
In Ch Ikey
DPPZAYPIPOPCQN-JKSUJKDBSA-O
Num Hdonors
2
Drug Likeness
0.824
Num Hacceptors
4
Isomeric Smiles
C[N+]1(C[C@H]2C3=C(C[C@@H]1C4=CC(=C(C=C24)OC)O)C(=C(C=C3)OC)O)C
Canonical Smiles
C[N+]1(CC2C3=C(CC1C4=CC(=C(C=C24)OC)O)C(=C(C=C3)OC)O)C
Molecular Weight
342.4 g/mol
Molecular Formula
C20H24NO4+
Molecular Formula
C20H24NO4+
Num Rotatable Bonds
2