01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Isoverticine-beta-n-oxide
- Molecular Formula
- C27H45NO4
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC2C(C3CCC4C(C3C[N+]2(C1)[O-])CC5C4CC(C6C5(CCC(C6)O)C)O)(C)O
- Isomeric SMILES
- C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3C[N@@+]2(C1)[O-])C[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)(C)O
- InChI
- InChI=1S/C27H45NO4/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25,32)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+,25-,26+,27-,28+/m0/s1
- Oral Bioavailability
- 22.351
- Drug Likeness
- 0.391
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
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