Lubiminol
PubChem CID: 10376937
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| Compound Synonyms | Lubiminol, 15-Dihydrolubimin, Lubiminol, (+)-, 55784-92-4, IX0E18QK0C, UNII-IX0E18QK0C, Spiro(4.5)decane-6-methanol, 8-hydroxy-10-methyl-2-(1-methylethenyl)-, (2R,5S,6S,8S,10R)-, (3R,5S,6R,8S,10S)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol, Spiro(4.5)decane-6-methanol, 8-hydroxy-10-methyl-2-(1-methylethenyl)-, (5S-(5alpha(S*),6beta,8beta,10beta))-, SPIRO(4.5)DECANE-6-METHANOL, 8-HYDROXY-10-METHYL-2-(1-METHYLETHENYL)-, (5S-(5.ALPHA.(S*),6.BETA.,8.BETA.,10.BETA.))-, (3R,5S,6R,8S,10S)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro(4.5)decan-8-ol, Spiro[4.5]decane-6-methanol, 8-hydroxy-10-methyl-2-(1-methylethenyl)-, (2R,5S,6S,8S,10R)-, SCHEMBL2034523, CHEBI:156178, DTXSID901318663, AKOS040752709, Q27280928 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3R,5S,6R,8S,10S)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LOLOOEMMLLRJKC-ZSAUSMIDSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -2.583 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.699 |
| Compound Name | Lubiminol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3909001999999995 |
| Inchi | InChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H](C[C@@H]([C@]12CC[C@H](C2)C(=C)C)CO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all