Torreyol

Torreyol
Compound Structure:
Synonyms: (+)-delta-cadinol ;.alpha.-Muurolol ;1.beta.-Cadin-4-en-10-ol ;sesquigoyol ;Torreyol
Compound ID: NMPC-1543
PubChem ID:

11990360
Molecular Formula: C15H26O
Canonical SMILES: CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
InChIKey: LHYHMMRYTDARSZ-TUVASFSCSA-N
About the compound:

(+)-delta-cadinol is a cadinanesesquiterpenoid that consists of 1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1S,4R,4aS,8aR)-configuration. It has a role as a plant metabolite, an antineoplastic agent and a fungal metabolite. It is a cadinanesesquiterpenoid, a member of octahydronaphthalenes and a tertiary alcohol. It is an enantiomer of a (-)-delta-cadinol.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

3.3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

222.198365449 g/mol

Monoisotopic Mass

222.198365449 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

292

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Tithonia diversifolia
Brachystegia eurycoma
Download SDF