(1R,2S,17R,19R)-12-hydroxy-19-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione

PubChem CID: 101277420

Connections displayed (default: 10).

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Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	102.0
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CC3CCC1C31CC3CC4CCCCC4CC3C(C)C1C2
Np Classifier Class	Plant xanthones
Deep Smiles	OC/C=CC[C@@]OC[C@@H][C@@]5OccC=O)C6=C[C@H]C%13=O))C%10)))))cO)ccc6CC=CC)C)))))OCC=C6))C)C)))))))))))C)C))))))/C
Heavy Atom Count	40.0
Classyfire Class	Benzopyrans
Scaffold Graph Node Level	OC1C2CC3CCCOC3CC2OC23C4COC2C(O)C(C4)CC13
Classyfire Subclass	1-benzopyrans
Isotope Atom Count	0.0
Molecular Complexity	1250.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(1R,2S,17R,19R)-12-hydroxy-19-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	5.4
Gsk 4 400 Rule	False
Molecular Formula	C33H38O7
Scaffold Graph Node Bond Level	O=C1C2=CC3CC4COC(C3=O)C24Oc2cc3c(cc21)C=CCO3
Prediction Swissadme	0.0
Inchi Key	UWZMGTSPGQXAAP-LTBZWJEGSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.5151515151515151
Logs	-3.38
Rotatable Bond Count	5.0
Logd	3.943
Synonyms	morellinol
Esol Class	Poorly soluble
Functional Groups	C/C=C(C)C, CC(C)=O, CC=C(C)C, CO, COC, cC(=O)C(C)=CC, cC=CC, cO, cOC
Compound Name	(1R,2S,17R,19R)-12-hydroxy-19-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione
Prediction Hob Swissadme	0.0
Exact Mass	546.262
Formal Charge	0.0
Monoisotopic Mass	546.262
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	546.6
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	False
Esol	-6.431192000000002
Inchi	InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,19,23,34-35H,9,13,15-16H2,1-7H3/b18-10-/t19-,23+,32-,33+/m0/s1
Smiles	CC(=CCC1=C2C(=C(C3=C1O[C@@]45[C@@H]6C[C@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\CO)O)C=CC(O2)(C)C)C
Nring	7.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Xanthones

1. Outgoing r'ship FOUND_IN to/from Garcinia Atroviridis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Garcinia Cambogia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Garcinia Cantleyana (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Garcinia Celebica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Garcinia Conrauana (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Garcinia Cowa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Garcinia Echinocarpa (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Garcinia Esculenta (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Garcinia Gaudichaudii (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Garcinia Griffithii (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Garcinia Hanburyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
13. Outgoing r'ship FOUND_IN to/from Garcinia Hombroniana (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Garcinia Huillensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Garcinia Indica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Garcinia Intermedia (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Garcinia Kola (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Garcinia Kydia (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Garcinia Lancaeafolia (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Garcinia Lancilimba (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Garcinia Lateriflora (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Garcinia Latissima (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Garcinia Linii (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Garcinia Livingstonei (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Garcinia Lucida (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Garcinia Mangostana (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Garcinia Morella (Plant) Rel Props:Reference:ISBN:9788172363178; ISBN:9788185042084
29. Outgoing r'ship FOUND_IN to/from Garcinia Multiflora (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Garcinia Nervosa (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Garcinia Nigrolineata (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Garcinia Oblongifolia (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Garcinia Oligantha (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Garcinia Ovalifolia (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Garcinia Parvifolia (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Garcinia Paucinervis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Garcinia Pedunculata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Garcinia Polyantha (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Garcinia Pseudoguttifera (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Garcinia Purpurea (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Garcinia Pyrifera (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Garcinia Quaesita (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Garcinia Scortechinii (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Garcinia Speciosa (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Garcinia Spicata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Garcinia Subelliptica (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Garcinia Talbotii (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Garcinia Tinctoria (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Garcinia Travancorica (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Garcinia Virgata (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Garcinia Wightii (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Garcinia Xanthochymus (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Reference:

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(1R,2S,17R,19R)-12-hydroxy-19-[(Z)-4-hydroxy-3-methylbut-2-enyl]-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14,18-dione

Graph

Phytochemical Properties

Associated Connections 53

Plant Connections 53