Colforsin
PubChem CID: 47936
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| Compound Synonyms | forskolin, Colforsin, 66575-29-9, Coleonol, colforsina, colforsine, colforsinum, Boforsin, Colforsine [French], Colforsinum [Latin], Coleonolk, Colforsina [Spanish], ForsLean, HL 362, Colforsin [USAN:INN], L 75 1362B, 7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one, EINECS 266-410-9, Forskolin (GMP), HL-362, NSC 357088, NSC 375489, 1F7A44V6OU, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate, DTXSID8040484, CHEBI:42471, L-751362B, COLFORSIN [INN], COLFORSIN [MI], COLFORSIN [USAN], FORSKOLIN [VANDF], MFCD00082317, [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate, COLFORSIN [MART.], NSC-357088, NSC-375489, COLFORSIN [WHO-DD], FORSKOLIN [USP-RS], CHEMBL52606, DTXCID6020484, L-75-1362B, 7-beta-Acetoxy-8,13-epoxy-1-alpha,6-beta,9-alpha-trihydroxylabd-14-en-11-one, Colforsinum (Latin), NSC375489, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-Dodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-1H-naphtho(2,1-b)pyran-1-one 5-acetate, 64657-11-0, NCGC00024996-02, COLFORSIN (MART.), FORSKOLIN (USP-RS), 1H-Naphtho(2,1-b)pyran-1-one, dodecahydro-5-(acetyloxy)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-, FORSKOLIN (CONSTITUENT OF FORSKOHLII) [DSC], Coleonol, Colforsin, (-)-Forskolin, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate, 1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-, FOK, SMR000471881, CAS-66575-29-9, C22H34O7, UNII-1F7A44V6OU, Ocufors, Forskolin?, Timsaponin-C, ((3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo(f)chromen-5-yl) acetate, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho(2,1-b)pyran-5-yl acetate, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo(f)chromen-5-yl acetate, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-Dodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-1H-naphtho[2,1-b]pyran-1-one 5-acetate, Forskolin (Standard), Colforsin (USAN/INN), MolMap_000021, SCHEMBL4928, 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, cid_47936, MLS001066384, MLS001333255, MLS001333256, MLS002172462, MLS002695942, Forskolin, analytical standard, Forskolin - Bio-X trade mark, REGID_for_CID_47936, GTPL5190, BCBcMAP01_000132, OHCQJHSOBUTRHG-KGGHGJDLSA-, Bio1_000443, Bio1_000932, Bio1_001421, HMS2235C17, HMS3267I16, HMS3412G19, HMS3676G19, EX-A5963, Tox21_110940, Tox21_302399, BDBM50010261, HB1348, HY-15371G, HY-15371R, s2449, AKOS024456384, Tox21_110940_1, CCG-268774, CS-1454, DB02587, FF23593, LMPR0104030004, SMP1_000128, [3R-(3H-naphtho[2,1-b]pyran-1-one, NCGC00024996-03, NCGC00024996-04, NCGC00024996-05, NCGC00024996-06, NCGC00024996-07, NCGC00024996-10, NCGC00024996-34, NCGC00177971-03, NCGC00255526-01, [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]acetate, 1H-Naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-, 5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-1-one, AC-33150, AS-17443, BF164487, HY-15371, N,N-dimethyl-beta-alanine-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-6-yl ester HCl, CS-0622781, F0855, FORSKOLIN (CONSTITUENT OF FORSKOHLII), M-410, NS00020690, C09076, D03584, MLS-0318096.0001, Q412747, SR-01000597378, Forskolin, For use in molecular biology applications, SR-01000597378-1, 64657-11-0 and 66575-29-9, BRD-K09602097-001-04-5, BRD-K09602097-001-13-6, Z1395264745, Forskolin, from Coleus forskohlii, >=98% (HPLC), powder, Forskolin, United States Pharmacopeia (USP) Reference Standard, Coleonol, 7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxylabd-14-en-11-one, (3R,4?R,5S,6S,6?S,10S,10?R,10?S)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10,10?-trihydroxy-3,4?,7,7,10?-pentamethyl-1H-naphtho[2,1-?]py ran-1-one, Coleonol, Colforsin, (-)-Forskolin, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(Acetyloxy)-3-ethenyldodecahydro-6,10 ,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]py ran-1-one, Coleonol, Colforsin, (-)-Forskolin, HL 362, [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate, [3R-(3a,4ab,5b,6b,6aa,10a,10ab,10ba)]-5-(Acetyloxy)-3-e thenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one, 266-410-9, InChI=1/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC2CCC3CCCCC3C12 |
| Np Classifier Class | Labdane diterpenoids |
| Deep Smiles | C=C[C@@]C)CC=O)[C@][C@@]O6)C)[C@@H]OC=O)C)))[C@H][C@@H][C@]6C)[C@@H]O)CCC6C)C)))))))O))))O |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CCOC2CCC3CCCCC3C12 |
| Classyfire Subclass | Triterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 747.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Uniprot Id | Q9NY46, P08908, P13569, P19754, P11166, Q08828, P26769, P51828, Q8TDU6, Q8WUI4, Q03164, P08659, Q8WXD0, Q9HBX9, P03372, P83916, P37231, P25094, P08183, P35869, Q16236, O75496, Q9R1A7, P43220, O42275, P81908, Q9NUW8, P51843, Q12791, Q9NPD5, Q9Y6L6, O95398, O75469, Q9UBK2, n.a., P0DTD1, P40145, P10275, Q03181 |
| Iupac Name | [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT5446, NPT1038, NPT668, NPT585, NPT543, NPT2944 |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H34O7 |
| Scaffold Graph Node Bond Level | O=C1CCOC2CCC3CCCCC3C12 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OHCQJHSOBUTRHG-KGGHGJDLSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8181818181818182 |
| Logs | -3.926 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.331 |
| Synonyms | coleonol, forskolin, forskolin (coleonol) |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC(=O)OC, CC(C)=O, CO, COC |
| Compound Name | Colforsin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.23 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 410.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.8171434000000013 |
| Inchi | InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1 |
| Smiles | CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Coleus Forskohlii (Plant) Rel Props:Reference:ISBN:9788185042084; ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Cullen Corylifolium (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/18445497 - 3. Outgoing r'ship
FOUND_INto/from Hedychium Forrestii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Plectranthus Barbatus (Plant) Rel Props:Source_db:npass_chem_all