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.

Morusin

PubChem CID: 5281671

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

ℹ️ Click here to know more about the properties
Compound Synonyms Morusin, 62596-29-6, Mulberrochromene, TCMDC-124149, T4VGD5NP9B, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one, CHEBI:7005, UNII-T4VGD5NP9B, NSC649220, MORUSIN [WHO-DD], NSC 649220, NSC-649220, CHEMBL464006, DTXSID70211641, 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)pyrano[2,3-f]chromen-4(8H)-one, 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-, 2-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-3-(3-METHYL-2-BUTEN-1-YL)-4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 2-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-3-(3-METHYLBUT-2-ENYL)PYRANO(2,3-H)CHROMEN-4-ONE, 4H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-4-ONE, 2-(2,4-DIHYDROXYPHENYL)-5-HYDROXY-8,8-DIMETHYL-3-(3-METHYL-2-BUTEN-1-YL)-, 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano-(2,3-h)-1-benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano-[2,3-h]-1-benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one, Morusin, 3, Morusin (Standard), MFCD09953814, MLS000697591, MEGxp0_001039, SCHEMBL2562778, ACon1_001205, cid_5281671, HY-N0622R, DTXCID00134132, HMS2271K05, BCP16494, HY-N0622, BDBM50242014, LMPK12110912, AKOS032962066, CS-6885, FM74122, AC-34737, LS-15105, SMR000470930, BRD-K40169295-001-01-2, Q27107393, 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one, 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CC(C2CCCCC2)CC2C1CCC1CCCCC12
Np Classifier Class Flavones
Deep Smiles CC=CCccoccc6=O))cO)ccc6C=CCO6)C)C)))))))))))cccccc6O)))O)))))))))C
Heavy Atom Count 31.0
Classyfire Class Flavonoids
Description Constituent of the root bark of Morus alba (mulberry) and other Morus subspecies Morusin is found in fruits.
Scaffold Graph Node Level OC1CC(C2CCCCC2)OC2C1CCC1OCCCC12
Classyfire Subclass Flavones
Isotope Atom Count 0.0
Molecular Complexity 805.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P35354, P23219, n.a., P10520, O75164, Q16236, P56817, P05979, P09917, P18054, P39748, P84022, Q99700, P43220, P63092, Q13526, P06276, P22303, Q9NUW8, O75874, Q13148, P37840, Q03431, O95398, P11166, O97467, O61059, Q08499, A0A045ISB3, Q05209, Q9Y2R2, P18031, P9WIA1, P04191, Q64578
Iupac Name 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Prediction Hob 1.0
Class Flavonoids
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT31, NPT30, NPT740, NPT570, NPT1119, NPT439, NPT204, NPT1464, NPT3997, NPT178
Xlogp 5.5
Superclass Phenylpropanoids and polyketides
Subclass Flavones
Gsk 4 400 Rule False
Molecular Formula C25H24O6
Scaffold Graph Node Bond Level O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCC=C3
Prediction Swissadme 0.0
Inchi Key XFFOMNJIDRDDLQ-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.24
Logs -2.713
Rotatable Bond Count 3.0
State Solid
Logd 4.02
Synonyms 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI, Mulberrochromene, 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9ci, morusin, mulberrochromene
Esol Class Poorly soluble
Functional Groups CC=C(C)C, c=O, cC=CC, cO, cOC, coc
Compound Name Morusin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 420.157
Formal Charge 0.0
Monoisotopic Mass 420.157
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 420.5
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -5.950893683870968
Inchi InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
Smiles CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C
Nring 4.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent 3-prenylated flavones
Np Classifier Superclass Flavonoids

  • 1. Outgoing r'ship FOUND_IN to/from Adoxa Moschatellina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Artocarpus Communis (Plant) Rel Props:Source_db:npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Artocarpus Dadah (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Canthium Berberidifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Cornus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Gentiana Thunbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Lonicera Morrowii (Plant) Rel Props:Source_db:npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Lonicera Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Morus Australis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Morus Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home