(+)-Borneol - Moligand™, ≥98% , CAS No.464-43-7

CAS: 464-43-7 Cat. No.: B119291 분자식: C₁₀H₁₈O 분자량: 154.25 Beilstein Registry Number: 2038056 EC 번호: 207-352-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

AC-5982 | BS-42578 | D-BORNEOL [WHO-DD] | Pain relief patch-acupoint pressure stimulation | (1R-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol | BORNEOL, D- | BRN 2038056 | Endo-2-camphanol | endo-1,7,7-Trimethylbicyclo | (1R-endo)-1,7,7-Trimethylbicyclo(

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

AC-5982 | BS-42578 | D-BORNEOL [WHO-DD] | Pain relief patch-acupoint pressure stimulation | (1R-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol | BORNEOL, D- | BRN 2038056 | Endo-2-camphanol | endo-1,7,7-Trimethylbicyclo | (1R-endo)-1,7,7-Trimethylbicyclo(

사양 및 순도

Moligand™, ≥98%

보관 조건

Room temperature

배송

Normal

등급

Moligand™

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504764281
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764281
• 정식 스마일: CC1(C2CCC1(C(C2)O)C)C
• IUPAC Name: (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
• InChIKey: DTGKSKDOIYIVQL-WEDXCCLWSA-N
• INCHI: 1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1
• 이성체 SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O
• WGK 독일: 3
• RTECS: ED7060000
• UN 번호: 1312
• 포장 그룹: III
• 분자량: 154.25
• Beilstein: 2038056
• Reaxy-Rn: 6052111
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6052111&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Bornane monoterpenoid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• External Descriptors: borneol

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

TRPV3 Tchem Transient receptor potential cation channel subfamily V member 3 (1 Activities)

Discover Target: TRPV3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

관련 대상(비인간)

Colletotrichum fragariae (147 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Colletotrichum gloeosporioides (560 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 특정 회전[α]: +36°, c = 5 in ethanol
• 발화점(°F): 149 °F
• 발화점(°C): 65 °C
• 녹는점(°C): 206-209°C
• 분자량: 154.250 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Huijuan Li, Xinghui Song, Huiru Li, Lifei Zhu, Shengbo Cao, Jifeng Liu.  (2022)  Sesquiterpenes and Monoterpenes from the Leaves and Stems of Illicium simonsii and Their Antibacterial Activity.  MOLECULES,  27  (3): (1115).  [PMID:35164380] [10.3390/molecules27031115]

2. Jingwei Liu, Tong Shu, Yiheng Mu, Wanlin Zheng, Xiaohuan Lu, Hong Tao.  (2025)  Curdione combined with borneol treats bacterial mixed HPV infection by regulating the crosstalk among immune cells.  Frontiers in Immunology,      [PMID:39911394] [10.3389/fimmu.2025.1503355]