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
- 30817
- Core Entity Id
- 37436
- Source Entity Count
- 1
- Preferred Name
- Przewaline
- Name En
- Pubchem Id
- 101936515
- Smiles Canonical
- CN1CCC2=C3C(=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC5=C(C=C6C(=C5OC)CC7=NC=CC8=CC(=C(C6=C78)OC)OC)OC)OC)OC)OCO3
- Molecular Formula
- C41H42N2O10
- Molecular Weight
- 722.7910
- Inchikey
- QDYWYMHZXBTSQO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C41H42N2O10/c1-43-14-12-23-24(18-31(46-4)39-37(23)51-20-52-39)28(43)15-22-9-10-29(44-2)40(35(22)48-6)53-41-32(47-5)19-25-26(36(41)49-7)17-27-33-21(11-13-42-27)16-30(45-3)38(50-8)34(25)33/h9-11,13,16,18-19,28H,12,14-15,17,20H2,1-8H3
- Isomeric Smiles
- CN1CCC2=C3C(=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC5=C(C=C6C(=C5OC)CC7=NC=CC8=CC(=C(C6=C78)OC)OC)OC)OC)OC)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 7.1589
- Num H Donors
- 0
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.1350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Przewaline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Przewaline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
przewaline
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040982
Tcmid
39468
Pub Chem
101936515
Tcmbank
TCMBANKIN025727
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C41H42N2O10/c1-43-14-12-23-24(18-31(46-4)39-37(23)51-20-52-39)28(43)15-22-9-10-29(44-2)40(35(22)48-6)53-41-32(47-5)19-25-26(36(41)49-7)17-27-33-21(11-13-42-27)16-30(45-3)38(50-8)34(25)33/h9-11,13,16,18-19,28H,12,14-15,17,20H2,1-8H3
Mol Wt
722.7910000000003
Smiles
CN1CCC2=C3C(=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC5=C(C=C6C(=C5OC)CC7=NC=CC8=CC(=C(C6=C78)OC)OC)OC)OC)OC)OCO3
Mol Log P
7.158900000000007
In Ch Ikey
QDYWYMHZXBTSQO-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.135
Num Hacceptors
12
Isomeric Smiles
CN1CCC2=C3C(=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC5=C(C=C6C(=C5OC)CC7=NC=CC8=CC(=C(C6=C78)OC)OC)OC)OC)OC)OCO3
Canonical Smiles
CN1CCC2=C3C(=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC5=C(C=C6C(=C5OC)CC7=NC=CC8=CC(=C(C6=C78)OC)OC)OC)OC)OC)OCO3
Molecular Weight
722.8 g/mol
Molecular Formula
C41H42N2O10
Molecular Formula
C41H42N2O10
Num Rotatable Bonds
11