6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

PubChem CID: 5479542

Connections displayed (default: 10).

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Compound Synonyms	atolaphyllidine, Atalaphyllidine, CHEMBL452220, 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one, BDBM50021613, 57959-88-3, DB-293800, 3,12-Dihydro-6,11-dihydroxy-3,3-dimethyl-7h-pyrano[2,3-c]acridin-7-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CCCCC2CC2C3CCCCC3CCC12
Np Classifier Class	Acridone alkaloids
Deep Smiles	OcccOCC)C)C=Cc6cc%10c=O)cc[nH]6)cO)ccc6
Heavy Atom Count	23.0
Classyfire Class	Quinolines and derivatives
Scaffold Graph Node Level	OC1C2CCCCC2NC2C3CCCOC3CCC12
Classyfire Subclass	Benzoquinolines
Isotope Atom Count	0.0
Molecular Complexity	531.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P06493, Q00535, P49841, P49759, Q13627
Iupac Name	6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Target Id	NPT3114
Xlogp	3.7
Gsk 4 400 Rule	True
Molecular Formula	C18H15NO4
Scaffold Graph Node Bond Level	O=c1c2ccccc2[nH]c2c3c(ccc12)OCC=C3
Prediction Swissadme	0.0
Inchi Key	QMIBOFBCPAGGAC-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1666666666666666
Logs	-4.001
Rotatable Bond Count	0.0
Logd	2.891
Synonyms	atalaphyllidine, atolaphyllidine
Esol Class	Moderately soluble
Functional Groups	c=O, cC=CC, cO, cOC, c[nH]c
Compound Name	6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Prediction Hob Swissadme	0.0
Exact Mass	309.1
Formal Charge	0.0
Monoisotopic Mass	309.1
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	309.3
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-5.333024982608695
Inchi	InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)
Smiles	CC1(C=CC2=C(O1)C=C(C3=C2NC4=C(C3=O)C=CC=C4O)O)C
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Anthranilic acid alkaloids

1. Outgoing r'ship FOUND_IN to/from Asparagus Cochinchinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Atalantia Ceylanica (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Atalantia Monophylla (Plant) Rel Props:Reference:ISBN:9788172360818
5. Outgoing r'ship FOUND_IN to/from Atalantia Racemosa (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Atalantia Wightii (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Barleria Buxifolia (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Buchanania Cochinchinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Cotoneaster Buxifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Dalbergia Cochinchinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Desmos Cochinchinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Diospyros Buxifolia (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Dracaena Cochinchinensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Excoecaria Cochinchinensis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Glycosmis Chlorosperma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
16. Outgoing r'ship FOUND_IN to/from Glycosmis Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
17. Outgoing r'ship FOUND_IN to/from Glycosmis Macrocarpa (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Glycosmis Macrophylla (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Glycosmis Mauritiana (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Glycosmis Montana (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Glycosmis Ovoidea (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Glycosmis Parviflora (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Glycosmis Pseudoracemosa (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Glycosmis Puberula (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Glycosmis Stenocarpa (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Homalium Cochinchinensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Maba Buxifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Maclura Cochinchinensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Macrosolen Cochinchinensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Maytenus Buxifolia (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Melodinus Cochinchinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Momordica Cochinchinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Mucuna Cochinchinensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Scutia Buxifolia (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Stemona Cochinchinensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Symplocos Cochinchinensis (Plant) Rel Props:Reference:

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6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

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Phytochemical Properties

Associated Connections 37

Plant Connections 37