Podioda-7,17,21-triene
PubChem CID: 15541888
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| Compound Synonyms | podioda-7,17,21-triene |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1CCCC12 |
| Np Classifier Class | Malabaricane triterpenoids |
| Deep Smiles | C/C=CCCC=CC)C))))))/CCC[C@@]C)CC[C@H]C5=CC[C@@H][C@]6C)CCCC6C)C))))))))))))))C |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CCCC12 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 698.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3R,5aS,9aS,9bR)-3-[(5E)-5,10-dimethylundeca-5,9-dien-2-yl]-3,6,6,9a-tetramethyl-1,2,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H50 |
| Scaffold Graph Node Bond Level | C1=C2CCCC2C2CCCCC2C1 |
| Inchi Key | AYLQZDVHKCZPQY-LXCVNLFGSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | podioda-7,17,21-triene |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C |
| Compound Name | Podioda-7,17,21-triene |
| Exact Mass | 410.391 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.391 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 410.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C30H50/c1-22(2)12-9-10-13-23(3)14-15-24(4)29(7)21-18-26-25(29)16-17-27-28(5,6)19-11-20-30(26,27)8/h12-13,16,24,26-27H,9-11,14-15,17-21H2,1-8H3/b23-13+/t24?,26-,27-,29+,30+/m0/s1 |
| Smiles | CC(CC/C(=C/CCC=C(C)C)/C)[C@]1(CC[C@H]2C1=CC[C@@H]3[C@@]2(CCCC3(C)C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Polypodiodes Niponica (Plant) Rel Props:Reference:ISBN:9788185042145