Borneol

Details

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Internal ID 445d2d47-25a3-41f6-aa45-19cbc9fe45a1
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILES (Canonical) CC1(C2CCC1(C(C2)O)C)C
SMILES (Isomeric) C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O
InChI 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
InChI Key DTGKSKDOIYIVQL-WEDXCCLWSA-N
Popularity 463 references in papers

Physical and Chemical Properties

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Molecular Formula C10H18O
Molecular Weight 154.25 g/mol
Exact Mass 154.135765193 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.70
Atomic LogP (AlogP) 2.19
H-Bond Acceptor 1
H-Bond Donor 1
Rotatable Bonds 0

Synonyms

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464-43-7
Borneol
Camphol
d-Borneol
Hechenglongnao
Bingpian
Malayan camphor
Baros camphor
endo-Borneol
Bhimsaim camphor
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Borneol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
Human Intestinal Absorption + 0.9939 99.39%
Caco-2 + 0.7608 76.08%
Blood Brain Barrier + 0.8750 87.50%
Human oral bioavailability + 0.5857 58.57%
Subcellular localzation Lysosomes 0.5234 52.34%
OATP2B1 inhibitior - 0.8484 84.84%
OATP1B1 inhibitior + 0.9480 94.80%
OATP1B3 inhibitior + 0.9346 93.46%
MATE1 inhibitior - 0.9400 94.00%
OCT2 inhibitior - 0.8500 85.00%
BSEP inhibitior - 0.9325 93.25%
P-glycoprotein inhibitior - 0.9805 98.05%
P-glycoprotein substrate - 0.9410 94.10%
CYP3A4 substrate + 0.5147 51.47%
CYP2C9 substrate - 0.7698 76.98%
CYP2D6 substrate - 0.7363 73.63%
CYP3A4 inhibition - 0.9495 94.95%
CYP2C9 inhibition - 0.7997 79.97%
CYP2C19 inhibition - 0.9001 90.01%
CYP2D6 inhibition - 0.9696 96.96%
CYP1A2 inhibition - 0.7344 73.44%
CYP2C8 inhibition - 0.9388 93.88%
CYP inhibitory promiscuity - 0.9602 96.02%
UGT catelyzed + 0.7000 70.00%
Carcinogenicity (binary) - 0.8700 87.00%
Carcinogenicity (trinary) Non-required 0.6665 66.65%
Eye corrosion - 0.9035 90.35%
Eye irritation + 0.9774 97.74%
Skin irritation + 0.8622 86.22%
Skin corrosion - 0.8806 88.06%
Ames mutagenesis - 0.9800 98.00%
Human Ether-a-go-go-Related Gene inhibition - 0.6937 69.37%
Micronuclear - 1.0000 100.00%
Hepatotoxicity + 0.5031 50.31%
skin sensitisation + 0.7384 73.84%
Respiratory toxicity - 0.6333 63.33%
Reproductive toxicity + 0.6778 67.78%
Mitochondrial toxicity + 0.6125 61.25%
Nephrotoxicity + 0.4921 49.21%
Acute Oral Toxicity (c) III 0.8105 81.05%
Estrogen receptor binding - 0.7652 76.52%
Androgen receptor binding - 0.7722 77.22%
Thyroid receptor binding - 0.8307 83.07%
Glucocorticoid receptor binding - 0.8662 86.62%
Aromatase binding - 0.8681 86.81%
PPAR gamma - 0.7953 79.53%
Honey bee toxicity - 0.8569 85.69%
Biodegradation + 0.7750 77.50%
Crustacea aquatic toxicity + 0.6100 61.00%
Fish aquatic toxicity + 0.9060 90.60%

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.60% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.16% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.92% 97.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.49% 82.69%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.45% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.00% 92.94%
CHEMBL259 P32245 Melanocortin receptor 4 82.87% 95.38%
CHEMBL206 P03372 Estrogen receptor alpha 81.62% 97.64%
CHEMBL2996 Q05655 Protein kinase C delta 81.29% 97.79%
CHEMBL238 Q01959 Dopamine transporter 81.24% 95.88%
CHEMBL1871 P10275 Androgen Receptor 81.07% 96.43%
CHEMBL221 P23219 Cyclooxygenase-1 80.79% 90.17%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 80.63% 95.58%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.40% 91.11%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Abies alba
Abies sibirica subsp. semenovii
Acacia simplicifolia
Achillea millefolium
Acorus calamus var. angustatus
Acorus gramineus
Actaea cimicifuga
Actaea dahurica
Actaea simplex
Adina trichotoma
Afraegle paniculata
Aglaia elaeagnoidea
Agrimonia pilosa
Akebia quinata
Akebia trifoliata
Aloysia citrodora
Aristolochia littoralis
Arnebia euchroma
Arnebia guttata
Artemisia annua
Artemisia argyi
Artemisia capillaris
Artemisia carvifolia
Artemisia gmelinii
Artemisia montana
Artemisia princeps
Artemisia scoparia
Artemisia splendens
Artemisia vulgaris
Asarum heterotropoides
Asarum sieboldii
Astragalus glycyphyllos
Astragalus gummifer
Athrixia elata
Baccharis sarothroides
Bowdichia virgilioides
Cannabis sativa
Capparis flavicans
Cardiospermum halicacabum
Cassinia subtropica
Centaurea cheiranthifolia
Centaurea nigrescens
Centaurea zuccariniana
Chamaecyparis obtusa
Chrysanthemum indicum
Cinnamomum aromaticum
Cirsium japonicum
Citrus medica
Cladanthus arabicus
Colchicum arenarium
Coreopsis fasciculata
Cousinia canescens
Cratoxylum formosum subsp. pruniflorum
Crepis foetida
Crinum viviparum
Croton tiglium
Cuphea carthagenensis
Curcuma kwangsiensis
Curcuma longa
Curcuma phaeocaulis
Curcuma wenyujin
Curcuma zedoaria
Cymbopogon flexuosus
Cymbopogon jwarancusa subsp. olivieri
Cyperus rotundus
Daphnandra johnsonii
Daucus carota
Dianella revoluta
Dioscoreophyllum cumminsii
Dorstenia lindeniana
Elettaria cardamomum
Elsholtzia ciliata
Erigeron canadensis
Erythrina burttii
Eucommia ulmoides
Euphorbia hirta
Euphorbia segetalis
Firmiana simplex
Garcinia celebica
Gyrothyra underwoodiana
Hansenia forbesii
Hansenia weberbaueriana
Heterotheca subaxillaris
Hippeastrum aulicum
Houttuynia cordata
Ipomoea hederacea
Isocoma pluriflora
Isodon flexicaulis
Jacobaea erucifolia subsp. argunensis
Juniperus communis
Kaempferia galanga
Kokoona ochracea
Lamprolobium fruticosum
Leonurus japonicus
Ligularia stenocephala
Lindera aggregata
Lithospermum erythrorhizon
Litsea cubeba
Machilus obovatifolia
Magnolia obovata
Magnolia officinalis
Malus sieboldii
Mentha pulegium
Mentha suaveolens
Micranthes stellaris
Mikania grazielae
Mosla chinensis
Nauclea parva
Oxytropis pseudoglandulosa
Ozoroa insignis
Panax ginseng
Panzerina lanata
Parastrephia lepidophylla
Pedicularis plicata
Penstemon secundiflorus
Periploca sepium
Phedimus kamtschaticus
Phlogacanthus thyrsiformis
Phyllanthus emblica
Phytolacca acinosa
Picea abies
Picea koraiensis
Pinellia ternata
Pinus koraiensis
Pinus pumila
Piper arboreum
Piper callosum
Piper cubeba
Piper guineense
Pittocaulon bombycophole
Platycladus orientalis
Polyachyrus sphaerocephalus
Pouzolzia occidentalis
Prioria pinnata
Pseudoconyza viscosa
Punica granatum
Rubus pungens
Ruta microcarpa
Salvia barrelieri
Salvia officinalis
Salvia sclarea
Sanguisorba minor
Schisandra chinensis
Scleromitrion diffusum
Selinum carvifolium
Senna alexandrina
Sidastrum multiflorum
Sideritis hirsuta
Sideritis lanata
Sideritis leucantha
Sonchus gummifer
Stephania longa
Symplocos glauca
Syncolostemon parviflorus
Syzygium cumini
Tamarix gallica
Tanacetum vulgare
Teucrium polium subsp. polium
Teucrium scorodonia
Thuja plicata
Thymus broussonetii
Thymus quinquecostatus
Thymus vulgaris
Tinospora hainanensis
Titanotrichum oldhamii
Triglochin maritima
Urtica triangularis
Uvaria littoralis
Vaccaria hispanica
Valeriana jatamansi
Veronica anagallis
Viola hondoensis
Vitex agnus-castus
Waitzia acuminata
Wrightia tinctoria
Wurfbainia longiligularis
Wurfbainia villosa
Wurfbainia villosa var. xanthioides
Xyris capensis var. capensis
Zanthoxylum bungeanum
Zanthoxylum schinifolium
Zanthoxylum schreberi
Zingiber officinale

Cross-Links

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PubChem 6552009
NPASS NPC283655
LOTUS LTS0059936
wikiData Q412435