Compound: Ferruginol
SMILES: Oc1c(cc2CC[C@@H]3[C@@](c2c1)(CCCC3(C)C)C)C(C)C
InChIKey: QXNWVJOHUAQHLM-AZUAARDMSA-N
Synonyms: Ferruginol, 514-62-5, (+)-Ferruginol, trans-Ferruginol, N2CMM6X37M, abieta-8,11,13-trien-12-ol, (4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol, CHEBI:78274, DTXSID20331722, (4bS,8aS)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol, RefChem:140333, DTXCID70282816, 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)-, UNII-N2CMM6X37M, CHEMBL197308, MEGxp0_000699, 8,11,13-abietatrien-12-ol, Podocarpa-8,11,13-trien-12-ol, 13-isopropyl-, AC1L9C4T, XBG37SPT8G, SureCN155580, SCHEMBL155580, orb1684604, ACon1_000701, FERRUGINOL, (+/-)-, HY-N6033, 12-hydroxyabieta-8,11,13-triene, BDBM50483056, AKOS032948384, FF29416, FS-7565, (4BS,8AS)-4B,8,8-TRIMETHYL-2-(PROPAN-2-YL)-4B,5,6,7,8,8A,9,10-OCTAHYDROPHENANTHREN-3-OL, DA-68969, CS-0032206, Abieta-8(14),9(11),12-trien-12-ol, C09092, Abieta-9(11),8(14),12-trien-12-ol #, Q3743828, BRD-K27959543-001-01-3, PODOCARPA-8,11,13-TRIEN-12-OL, 13-ISOPROPYL-, (+/-)-, (4bs,8as)-4b,8,8-trimethyl-2-propane-2-yl-5,6,7,8a,9,10-hexa hydrophenanthren-3-ol, (4BS,8AS)-4B,5,6,7,8,8A,9,10-OCTAHYDRO-4B,8,8-TRIMETHYL-2-(1-METHYLETHYL)-3-PHENANTHRENOL, 10219-82-6, 3-PHENANTHRENOL, 4B,5,6,7,8,8A,9,10-OCTAHYDRO-4B,8,8-TRIMETHYL-2-(1-METHYLETHYL)-, (4BR,8AR)-REL-, 3-PHENANTHRENOL, 4B,5,6,7,8,8A,9,10-OCTAHYDRO-4B,8,8-TRIMETHYL-2-(1-METHYLETHYL)-, (4BS-TRANS)-, 3-PHENANTHRENOL, 4B,5,6,7,8,8A,9,10-OCTAHYDRO-4B,8,8-TRIMETHYL-2-(1-METHYLETHYL)-, TRANS-, REL-(4BR,8AR)-4B,5,6,7,8,8A,9,10-OCTAHYDRO-4B,8,8-TRIMETHYL-2-(1-METHYLETHYL)-3-PHENANTHRENOL
Theoretical properties:
molecular_formula: C20H30O
molecular_weight: 286.5 g/mol
exact_mass: 286.229665576 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 21
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Ferruginol is an abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12. It has a role as an antibacterial agent, an antineoplastic agent, a protective agent and a plant metabolite. It is a member of phenols, an abietane diterpenoid, a carbotricyclic compound and a meroterpenoid.
chebi: An abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12.
chembl: FERRUGINOL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Ferruginol is a natural phenol with a terpenoid substructure. Specifically, it is a diterpene of the abietane chemical class, meaning it is characterized by three fused six-membered rings and alkyl functional groups. Ferruginol was first identified in 1939 by Brandt and Neubauer as the main component in the resin of the miro tree (Podocarpus ferrugneus) and has since been isolated from other conifer species in the families Cupressaceae and Podocarpaceae. As a biomarker, the presence of ferruginol in fossils, mainly resin, is used to describe the density of these conifers in that particular biosphere throughout time.