This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Phorbol 12-myristate 13-acetate

PubChem CID: 27924

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms Phorbol 12-myristate 13-acetate, 16561-29-8, phorbol-12-myristate-13-acetate, 12-O-Tetradecanoylphorbol-13-acetate, 12-O-Tetradecanoylphorbol 13-acetate, Tetradecanoylphorbol acetate, Phorbol ester, Factor A1, 12-Tetradecanoylphorbol 13-acetate, Phorbol myristate acetate, phorbol 13-acetate 12-myristate, TPA, PMA, PMA (tumor promoter), Phorbol 12-tetradecanoate 13-acetate, TPA (phorbol derivative), MFCD00036736, CCRIS 716, Pma (phorbol ester), Tpa (phorbol ester), Phorbol 12-myristate 13-acetate diester, Phorbol monoacetate monomyristate, HSDB 3542, 13-O-Acetylphorbol 12-myristate, 12-O-Tetradecanoyl phorbol acetate, beta-Phorbol 12-myristate 13-acetate, NSC 262244, 12-Tetradecanoylphorbol 13-monoacetate, 4beta-Phorbol 12-myristate 13-acetate, CHEMBL279115, NI40JAQ945, CHEBI:37537, NSC-262244, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl tetradecanoate, Phorbol 12-myristate 13-acetate (PMA), Phorbol acetate, myristate, 12-o-Tetradekanoylphorbol-13-acetat, [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate, C36H56O8, Phorbol-myristate acetate, Pentahydroxy-tigliadienone-monoacetate(c)monomyristate(b), yristate, UNII-NI40JAQ945, 13-Tetradecanoylphorbol acetate, NSC626496, -yl ester, Phorbol-12-myristate 13-acetate, tetradecanoyl-beta-phorbol acetate, 12-Tetradecanoylphorbol-13-acetate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-acetate 9-myristate, 12-o-tetradecanoyl-phorbol-13-acetate, 4beta-Phorbol-12-myristate-13-acetate, BRN 2407201, SpecPlus_000801, Spectrum2_001911, Spectrum4_000889, Spectrum5_001855, MolMap_000041, UPCMLD-DP069, 12-O-Tetradekanoylphorbol-13-acetat [German], BIDD:PXR0145, CBiol_002014, BSPBio_001024, KBioGR_000364, KBioGR_001298, KBioSS_000364, SPECTRUM330004, Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-, DivK1c_006897, SCHEMBL115567, SPBio_001902, 1H-Cyclopropa[3,4]benz[1,2-e]azulene, tetradecanoic acid deriv., GTPL2341, [acetoxy-dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] tetradecanoate, DTXSID5023798, UPCMLD-DP069:001, UPCMLD-DP069:002, BCBcMAP01_000182, KBio1_001841, KBio2_000364, KBio2_002932, KBio2_005500, KBio3_000707, KBio3_000708, Bio1_000300, Bio1_000789, Bio1_001278, Bio2_000352, Bio2_000832, HMS1362D05, HMS1792D05, HMS1990D05, HMS3403D05, Phorbol 13 Acetate 12 Myristate, BNB65429, EX-A6920, -one 9a-acetate, (+)- (8CI), BDBM50099066, CCG-39863, HB0502, NSC262244, NSC262644, AKOS024418767, CS-6053, FP15184, FS-4842, LMPR0104330002, NSC-262644, NSC-626496, IDI1_002107, NCGC00161633-01, NCGC00161633-04, NCGC00161633-05, 4-.beta.-Phorbol 12-myristate 13-OAc, AC-33957, DA-49086, HY-18739, Myristic acid, 9-ester with 1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha,9beta,9aalpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8alpha-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one 9a-acetate, (+)-, Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9, 9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aa,1bb,4ab,7aa,7ba, 8a,9b,9aa))-, Phorbol 12-myristate 13-acetate (PMA)?, 12-o-tetradecanoylphorbol-13-acetate (tpa), NS00025422, P1585, PHORBOL-12-TETRADECANOYL-13-ACETATE, C05151, 4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha)]-, Q416716, 12-O-TETRADECANOYLPHORBOL-13-ACETATE [HSDB], BRD-K68552125-001-03-8, BRD-K68552125-001-04-6, BRD-K68552125-001-05-3, PHORBOL 12-MYRISTATE 13-ACETATE DIESTER [MI], Phorbol-12-myristate-13-acetate - CAS 16561-29-8, Phorbol 12-myristate 13-acetate, synthetic, >=98.0% (TLC), PMA, for use in molecular biology applications, >=99% (TLC), Phorbol 12-myristate 13-acetate, >=99% (TLC), film or powder, 12-O-tetradecanoyl phorbol-13-acetate, Cocarcinogen A1, Cocarcinogen C3, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a ,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl tetradecanoate, (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl tetradecanoate, 11016-13-0, 4beta,9alpha,12beta,13alpha,20-Pentahydroxytiglia-1,6-dien-3-one 12-tetradecanoate 13-acetate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-acetate 9-m, Myristic acid, 9-ester with 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9a-acetate, Myristic acid, 9-ester with 1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha,9beta,9aalpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8alpha-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5, tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9, Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-(1aalpha,1bbeta,
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 130.0
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2C1CCCC1C3CC3CCC21
Np Classifier Class Tetracyclic diterpenoids, Tigliane diterpenoids
Deep Smiles CCCCCCCCCCCCCC=O)O[C@@H][C@@H]C)[C@@]O)[C@H][C@H][C@]6OC=O)C)))C3C)C))))C=CC[C@][C@H]7C=CC5=O))C))))O)))CO
Heavy Atom Count 44.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level OC1CCC2C1CCCC1C3CC3CCC21
Classyfire Subclass Diterpenoids
Isotope Atom Count 0.0
Molecular Complexity 1150.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 8.0
Uniprot Id P17252, P05771, P05129, Q05655, Q02156, Q04759, n.a., Q9NUW8, P10636, P51450, Q13951, Q9UBT6, P11021, O42275, P81908, P27695, Q8IV61, P08659, P0DTD1
Iupac Name [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Target Id NPT182, NPT760, NPT880, NPT881, NPT761, NPT887, NPT50, NPT51
Xlogp 6.5
Gsk 4 400 Rule False
Molecular Formula C36H56O8
Scaffold Graph Node Bond Level O=C1C=CC2C1CC=CC1C3CC3CCC21
Prediction Swissadme 0.0
Inchi Key PHEDXBVPIONUQT-RGYGYFBISA-N
Silicos It Class Poorly soluble
Fcsp3 0.8055555555555556
Logs -3.558
Rotatable Bond Count 17.0
Logd 4.132
Synonyms 12-o-tetradecanoylphorbol-13-acetate, phorbol 12-myristate 13-acetate, phorbol ester
Esol Class Poorly soluble
Functional Groups CC(=O)OC, CC(C)=CC, CC1=CCCC1=O, CO
Compound Name Phorbol 12-myristate 13-acetate
Prediction Hob Swissadme 0.0
Exact Mass 616.398
Formal Charge 0.0
Monoisotopic Mass 616.398
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 616.8
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 8.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -6.668883200000002
Inchi InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1
Smiles CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Diterpenoids

Back to Browse   Back to Home