(+)-Capsidiol
Also known as Capsidiol, (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol 1beta,3alpha,4betaH-eremophila-9,11-diene-1,3-diol, (1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
Key facts
What buyers check first
- CAS number
- 37208-05-2
- Formula
- C15H24O2
- Molar mass
- 236.36 g/mol
- EC number
- 814-538-6
- HS code
- 290619
- Category
- Alcohols and polyols
What is (+)-Capsidiol?
Plain description, key identifiers and synonyms
Capsidiol is an eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene bearing additional 1beta- and 3alpha-hydroxy substituents. It is a phytoalexin produced in Nicotiana and Capsicum plant species in response to pathogen attack. It has a role as an antifungal agent and a plant metabolite. It is a member of octahydronaphthalenes, a sesquiterpene phytoalexin and an eremophilane sesquiterpenoid. It is functionally related to a (+)-5-epi-aristolochene.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol
- CAS number
- 37208-05-2 CAS number cross-checked
- EC number
- 814-538-6
- Molecular formula
- C15H24O2
- UNII
- 1O869T5P54
- InChIKey
- BXXSHQYDJWZXPB-OKNSCYNVSA-N
- InChI
- InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1
- Canonical SMILES
- C=C(C)C1CC=C2C(O)CC(O)C(C)C2(C)C1
- Isomeric SMILES
- C[C@@H]1[C@@H](C[C@H](C2=CC[C@H](C[C@]12C)C(=C)C)O)O
Synonyms
- Capsidiol
- (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol 1beta,3alpha,4betaH-eremophila-9,11-diene-1,3-diol
- (1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
- 1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (1R,3R,4S,4aR,6R)-
- (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol
- (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol
- 1beta,3alpha,4betaH-eremophila-9,11-diene-1,3-diol
- (1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol, Capsidiol
- 1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (1R-(1alpha,3beta,4beta,4aalpha,6alpha))-
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 236.36 g/molcalc.Computed value |
|---|---|
| Exact mass | 236.1776 Dacalc.Computed value |
| LogP (octanol/water) | 2.67calc.Computed value |
| Topological polar surface area | 40.46 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 17calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.73calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 5calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
C1=C2CCCCC2CCC1
2 rings, 10 atoms, the 1,2,3,4,4a,5,6,7-Octahydronaphthalene ring system.
115 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
Precautionary statements (5)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aid(+)-Capsidiol suppliers
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(+)-Capsidiol price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- antifungal agent
- antimicrobial agent
- eukaryotic metabolite
- metabolite
- plant metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code (+)-Capsidiol is traded under.
Cyclanic, cyclenic or cycloterpenic, other
- United States19.8%
- Germany9.0%
- India * partner reported8.4%
* Partner reported figures, a lower bound.
The HS code shown for (+)-Capsidiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about (+)-Capsidiol, based on the data on this page
What is (+)-Capsidiol?
What is the CAS number of (+)-Capsidiol?
What is the molecular formula and weight of (+)-Capsidiol?
What is (+)-Capsidiol used for?
Is (+)-Capsidiol hazardous?
What is the HS code of (+)-Capsidiol?
Where can I buy (+)-Capsidiol?
What is the price of (+)-Capsidiol?
Guides for buyers
Practical guides that help when you source, ship or handle (+)-Capsidiol
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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