Cryptomeridiol
Completing data — refresh the page later to see the latest
Basic information
- CAS
4666-84-6- Standard SMILES
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1- InChIKey
LKKDASYGWYYFIK-QHSBEEBCSA-N- Molecular formula
- C15H28O2
- Average molar mass
- 240.38 g/mol
- Monoisotopic mass
- 240.20893013
Overview
Cryptomeridiol is a eudesmane sesquiterpenoid. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Cryptomeridiol
- IUPAC
- (1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
- English name
- (1R,8aα)-1,4aβ-Dimethyl-7β-(1-hydroxy-1-methylethyl)decalin-1α-ol
- Molecular formula
- C15H28O2
- Molecular weight
- 240.39
Names & synonyms
CryptomeridiolProximadiol4666-84-6Y2KBV9FZ9MJ13.424DDTXSID0013172822-Naphthalenemethanol, decahydro-8-hydroxy-alpha,alpha,4a,8-tetramethyl-, (2R-(2alpha,4aalpha,8beta,8abeta))-RefChem:46963DTXCID401747102(1r,4ar,7r,8ar)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyldecahydronaphthalen-1-olSelina-4,7-diol(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Show more names
(1R,8aα)-1,4aβ-Dimethyl-7β-(1-hydroxy-1-methylethyl)decalin-1α-ol(1R,8aα)-1,4aβ-Dimethyl-7β-(1-hydroxy-1-methylethyl)decalin-1α-ol(2R,8R,8aβ)-Decahydro-8-hydroxy-α,α,4aα,8-tetramethyl-2-naphthalenemethanol2-Naphthalenemethanol, decahydro-8-hydroxy-α,α,4a,8-tetramethyl-, (2R,4aR,8R,8aR)-
Selinane-4.alpha.,11-diol5.beta.,7.beta.H,10.alpha.-Eudesmane-4,11-diol2-Naphthalenemethanol, 1,2.beta.,3,4,4a,5,6,7,8,8a.beta.-decahydro-8.beta.-hydroxy-.alpha.,.alpha.,4a.alpha.,8-tetramethyl-2-Naphthalenemethanol, decahydro-8-hydroxy-.alpha.,.alpha.,4a,8-tetramethyl-, (2R,4aR,8R,8aR)-UNII-Y2KBV9FZ9MKryptomeridiolCHEMBL465860orb1682882
Database identifiers
- CAS
4666-84-6- PubChem CID
- 165258
- DTXSID
DTXSID001317282- ChEMBL
CHEMBL1288770、CHEMBL465860- ChEBI
CHEBI:67796- UNII
- Y2KBV9FZ9M
- Nikkaji
- J13.424D
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- Boiling point
- 317.3 · 317.3±10.0 °C(Predicted)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- Melting point
- 137.5 °C · 137.5 °C(Solv: benzene (71-43-2))
- pka
- 15.18 · 15.18±0.60(Predicted)
- LogP
- 3.09 · 3.090 (est)
- FDA UNII
- 2 KBV9FZ9M · Y2KBV9FZ9M
Chemistry & industry
Applications
UsesCryptomeridiol is a tyrosinase inhibitor from the leaves of Eucalyptus globulus. Terpenoid.
Additional notes
DefinitionChEBI: A natural product found in Blumea balsamifera.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…