Phytochemical: Bombamalone A

Connections displayed (default: 10).

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Compound Synonyms	BOMBAMALONE A, 5,10-dihydroxy-11-methoxy-10-methyl-7-propan-2-yl-2-oxatricyclo(6.3.1.04,12)dodeca-1(11),4,6,8(12)-tetraene-3,9-dione, 5,10-dihydroxy-11-methoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione, CHEMBL250449, 953793-03-8
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	2.0
Inchi Key	JYUFSZQBCUGFJN-UHFFFAOYSA-N
Rotatable Bond Count	2.0
Heavy Atom Count	22.0
Compound Name	Bombamalone A
Exact Mass	304.095
Formal Charge	0.0
Monoisotopic Mass	304.095
Isotope Atom Count	0.0
Molecular Complexity	565.0
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	304.29
Database Name	npass_chem_all;pubchem
Covalent Unit Count	1.0
Defined Atom Stereocenter Count	0.0
Iupac Name	5,10-dihydroxy-11-methoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Inchi	InChI=1S/C16H16O6/c1-6(2)7-5-8(17)10-11-9(7)13(18)16(3,20)14(21-4)12(11)22-15(10)19/h5-6,17,20H,1-4H3
Smiles	CC(C)C1=CC(=C2C3=C1C(=O)C(C(=C3OC2=O)OC)(C)O)O
Xlogp	2.0
Defined Bond Stereocenter Count	0.0
Molecular Formula	C16H16O6

1. Outgoing r'ship FOUND_IN to/from Bombax Ceiba (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Bombax Insigne (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Bombax Malabaricum (Plant) Rel Props:Source_db:npass_chem_all
4. Outgoing r'ship FOUND_IN to/from Bombax Pentandrum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Dysoxylum Malabaricum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Jasminum Malabaricum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Memecylon Malabaricum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Piliostigma Malabaricum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Randia Malabaricum (Plant) Rel Props:Reference:

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