(1S,13S,14R,15S)-6,7-dihydroxy-14-methyl-1,13,15-tris(3-methylbut-2-enyl)-14-(4-methylpent-3-enyl)-3-oxatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),4,6,8-tetraene-10,12,17-trione

PubChem CID: 122181870

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL3593388
Topological Polar Surface Area	101.0
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	44.0
Isotope Atom Count	0.0
Molecular Complexity	1340.0
Database Name	cmaup_ingredients;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(1S,13S,14R,15S)-6,7-dihydroxy-14-methyl-1,13,15-tris(3-methylbut-2-enyl)-14-(4-methylpent-3-enyl)-3-oxatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),4,6,8-tetraene-10,12,17-trione
Nih Violation	False
Prediction Hob	0.0
Xlogp	9.6
Is Pains	True
Molecular Formula	C38H48O6
Prediction Swissadme	0.0
Inchi Key	FYLGKUMBFTYCET-VWXHZLQRSA-N
Fcsp3	0.5
Rotatable Bond Count	9.0
Compound Name	(1S,13S,14R,15S)-6,7-dihydroxy-14-methyl-1,13,15-tris(3-methylbut-2-enyl)-14-(4-methylpent-3-enyl)-3-oxatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),4,6,8-tetraene-10,12,17-trione
Prediction Hob Swissadme	0.0
Exact Mass	600.345
Formal Charge	0.0
Brenk Violation	True
Monoisotopic Mass	600.345
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	600.8
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Esol	-8.81541701818182
Inchi	InChI=1S/C38H48O6/c1-22(2)11-10-16-36(9)26(13-12-23(3)4)21-37(17-14-24(5)6)34-31(33(42)38(36,35(37)43)18-15-25(7)8)32(41)27-19-28(39)29(40)20-30(27)44-34/h11-12,14-15,19-20,26,39-40H,10,13,16-18,21H2,1-9H3/t26-,36+,37-,38+/m0/s1
Smiles	CC(=CCC[C@@]1([C@H](C[C@]2(C3=C(C(=O)C4=CC(=C(C=C4O3)O)O)C(=O)[C@@]1(C2=O)CC=C(C)C)CC=C(C)C)CC=C(C)C)C)C
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Symphonia Globulifera (Plant) Rel Props:Source_db:cmaup_ingredients

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