This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Ferrugicadinol

PubChem CID: 11562492

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Ferrugicadinol, (4bS,8aS,10S)-10-[[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol, (4bS,8aS,10S)-10-(((4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl)methyl)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol, CHEMBL465221
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 37.0
Isotope Atom Count 0.0
Molecular Complexity 855.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Iupac Name (4bS,8aS,10S)-10-[[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Prediction Hob 0.0
Xlogp 9.5
Molecular Formula C35H54O2
Prediction Swissadme 0.0
Inchi Key ZBJRPMGEEOSMIM-IKCQQGRZSA-N
Fcsp3 0.7714285714285715
Logs -7.055
Rotatable Bond Count 4.0
Logd 6.368
Compound Name Ferrugicadinol
Prediction Hob Swissadme 0.0
Exact Mass 506.412
Formal Charge 0.0
Monoisotopic Mass 506.412
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 506.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -8.835853000000002
Inchi InChI=1S/C35H54O2/c1-21(2)25-12-15-35(8,37)29-11-10-23(17-28(25)29)16-24-18-32-33(5,6)13-9-14-34(32,7)30-20-31(36)26(22(3)4)19-27(24)30/h17,19-22,24-25,28-29,32,36-37H,9-16,18H2,1-8H3/t24-,25+,28+,29-,32+,34-,35-/m1/s1
Smiles CC(C)[C@@H]1CC[C@@]([C@H]2[C@H]1C=C(CC2)C[C@@H]3C[C@@H]4[C@](CCCC4(C)C)(C5=CC(=C(C=C35)C(C)C)O)C)(C)O
Nring 5.0
Defined Bond Stereocenter Count 0.0